|
2-Chloro-pyridine-3-sulfonyl chloride |
|
|
|
ID: API-9381 CAS:6684-06-6 Supplier:APIchem SMILES:S(=O)(=O)(c1c(nccc1)Cl)Cl ChemMol.com FORMULA: C5H3Cl2NO2S
MASS: 212.0538
EXACT MASS: 210.9261547
INTERATOMIC DISTANCES
S 1 C 2 C 3 O 4 O 5 N 6
------------------------------------------------------------------
S 1 0.0000
C 2 0.8250 0.0000
C 3 1.4187 0.8192 0.0000
O 4 0.8269 1.4280 2.1739 0.0000
O 5 0.8212 1.4264 1.6375 1.4292 0.0000
N 6 2.1847 1.4316 0.8375 2.8596 2.4750 0.0000
Cl 7 0.8250 1.6500 2.1702 0.8341 0.8183 2.9752
Cl 8 1.6451 1.4250 0.8171 2.4720 1.4259 1.4280
C 9 1.4229 0.8192 1.4250 1.6417 2.1735 1.6529
C 10 2.4792 1.6542 1.4388 2.9782 2.9751 0.8233
C 11 2.1874 1.4316 1.6529 2.4792 2.8580 1.4250
Cl 7 Cl 8 C 9 C 10 C 11
-------------------------------------------------------
Cl 7 0.0000
Cl 8 2.1752 0.0000
C 9 2.1784 2.1746 0.0000
C 10 3.3042 2.1802 1.4388 0.0000
C 11 2.9812 2.4699 0.8375 0.8233 0.0000
ATOMIC CHARGES
S 1 0.0831504263
C 2 0.1505738422
C 3 0.1566808123
O 4 -0.1528350793
O 5 -0.1528350793
N 6 -0.2310677173
Cl 7 0.0604018513
Cl 8 -0.0599151246
C 9 0.0238096274
C 10 0.0999301931
C 11 0.0221062479
BOND ANGLES
10 6 3 Car Nar Car 120.069
6 3 2 Nar Car Car 119.566
3 6 10 Car Nar Car 120.069
6 10 11 Nar Car Car 119.863
TORSION ANGLES
3 2 1 4 179.974
3 2 1 5 0.026
3 2 1 7 0.026
9 2 1 4 0.026
9 2 1 5 179.974
9 2 1 7 179.974
6 3 2 1 179.974
6 3 2 9 0.026
8 3 2 1 0.026
8 3 2 9 179.974
10 6 3 2 0.026
10 6 3 8 179.974
11 9 2 1 179.974
11 9 2 3 0.026
6 10 11 9 0.026
10 11 9 2 0.026
3 6 10 11 0.026
|