1.

TUGAS 1

Stuktur Kimia 2D Stuktur Kimia 3D Parameter Parameter Parameter Molar

Lifofilik elektronik Sterik Refraksi
(Log P) (pKa) (BM) (MR)
1,64 9.900 94,11 27,09
[cm3 /
mol]

2,43 9.290 128,56 31,7

[cm3 /
mol]

2,13 10.050 108,14 32,99

[cm3 /
mol]

1,96 8.470 152,15 39,34

[cm3 /
mol]

1,8 8.470 166,17 44,14

[cm3 /
mol]
 -0,66 10.100 172,20 43,69
[cm3 /
mol]

0 6.480 250,28 64,62

[cm3 /
mol]

0,92 264,30 69,56

[cm3 /
mol]

1. Fenol
2. 4-Kloro fenol
3. 4-metil fenol
4. Nipagin
5. Nipasol
6. Sulfanilamid
7. Sulfadiazin
8. Sulfamerazin
STUKTUR 3D dan Stuktur 3D Paling Sederhana

Nama Stuktur 3D Stuktur 3D Bentuk Paling

Stuktur Sederhana
Fenol

Dipole/Dipole: 0.0000
Total Energy: -1.5844 kcal/mol
Calculation completed
4-kloro fenol

Dipole/Dipole: 0.1222
Total Energy: -1.0415 kcal/mol
Calculation completed
4-metil fenol

Dipole/Dipole: -0.0250
Total Energy: -1.6504 kcal/mol
Calculation completed
Nipagin

Dipole/Dipole: 4.1059
Total Energy: 24.8444 kcal/mol
Calculation completed
Nipasol

Dipole/Dipole: 4.5025
Total Energy: 26.0002 kcal/mol
Calculation completed

Sulfanilamid

Dipole/Dipole: 6.3272
Total Energy: 174.5069 kcal/mol
Calculation completed
Sulfadiazin

Dipole/Dipole: 7.7699
Total Energy: 188.5134 kcal/mol
Calculation completed
Sulfamerazin

Dipole/Dipole: 7.2027
Total Energy: 187.3124 kcal/mol
Calculation completed

2. TUGAS 2

CHEMICAL CALCULATION

Asam Mefenamat ------------MM2 Minimization------------

Pi System: 12 11 10 9 13 8 7 4 3 2 1 5 6 16 18
Warning: Some parameters are guessed (Quality = 1).
Iteration 354: Minimization terminated normally because the
gradient norm is less than the minimum gradient norm
Stretch: 2.1679
Bend: 12.5858
Stretch-Bend: 0.1096
Torsion: 8.3224
Non-1,4 VDW: -1.1451
1,4 VDW: 14.5403
Dipole/Dipole: 3.8924
Total Energy: 40.4731 kcal/mol

Fenobarbital ------------MM2 Minimization------------

Pi System: 10 9 8 7 11 12
Warning: Some parameters are guessed (Quality = 1).
Iteration 662: Minimization terminated normally because the
gradient norm is less than the minimum gradient norm
Stretch: 1.3167
Bend: 4.5960
Stretch-Bend: 0.1726
Torsion: 2.4579
Non-1,4 VDW: -3.4311
1,4 VDW: 3.8152
Dipole/Dipole: -1.9817
Total Energy: 6.9455 kcal/mol