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D-Cysteine |
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ID: API-42798 CAS:921-01-7 Supplier:APIchem SMILES:SC[C@@H](N)C(=O)O ChemMol.com FORMULA: C3H7NO2S
MASS: 121.1582
EXACT MASS: 121.0197495
INTERATOMIC DISTANCES
S 1 O 2 O 3 N 4 C 5 C 6
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S 1 0.0000
O 2 3.0000 0.0000
O 3 3.4641 1.7320 0.0000
N 4 2.0000 2.6458 2.0000 0.0000
C 5 1.7321 1.7320 1.7320 1.0001 0.0000
C 6 1.0001 2.0000 2.6457 1.7321 1.0000 0.0000
C 7 2.6458 1.0000 1.0000 1.7321 1.0000 1.7320
H 8 2.2901 1.8396 1.2346 0.8744 0.6200 1.6200
H 9 1.0813 2.1943 3.1512 2.3451 1.5967 0.6200
H 10 1.5968 1.4332 2.4059 2.0295 1.0812 0.6199
H 11 1.7732 3.1408 2.6200 0.6200 1.4158 1.8397
H 12 2.6200 2.8292 1.7733 0.6200 1.4158 2.2901
H 13 0.6200 3.3533 4.0131 2.6200 2.2901 1.4158
H 14 3.6201 0.6201 1.8397 3.1409 2.2901 2.6200
C 7 H 8 H 9 H 10 H 11 H 12
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C 7 0.0000
H 8 0.8743 0.0000
H 9 2.1829 2.2128 0.0000
H 10 1.4155 1.6309 0.7971 0.0000
H 11 2.2901 1.4674 2.3980 2.2859 0.0000
H 12 1.8397 1.0001 2.9097 2.4959 1.0739 0.0000
H 13 3.1408 2.8736 1.2046 1.9203 2.3716 3.2400
H 14 1.4158 2.2901 2.7952 2.0485 3.6740 3.2380
H 13 H 14
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H 13 0.0000
H 14 3.9666 0.0000
ATOMIC CHARGES
S 1 -0.1761691810
O 2 -0.4795155866
O 3 -0.2492239855
N 4 -0.3177568025
C 5 0.1120392001
C 6 0.0162735826
C 7 0.3225166787
H 8 0.0582100246
H 9 0.0394361031
H 10 0.0394361031
H 11 0.1189785147
H 12 0.1189785147
H 13 0.1016932926
H 14 0.2951035416
BOND ANGLES
13 1 6 HC S3 C3 119.998
1 6 9 S3 C3 HC 79.998
1 6 10 S3 C3 HC 160.007
6 1 13 C3 S3 HC 119.998
14 2 7 HO O3 C2 120.002
7 2 14 C2 O3 HO 120.002
6 5 4 C3 C3 N3 119.998
5 4 11 C3 N3 HC 120.000
5 4 12 C3 N3 HC 119.998
7 5 4 C2 C3 N3 120.001
5 4 11 C3 N3 HC 120.000
5 4 12 C3 N3 HC 119.998
8 5 4 HC C3 N3 60.002
5 4 11 C3 N3 HC 120.000
5 4 12 C3 N3 HC 119.998
12 4 11 HC N3 HC 120.002
11 4 12 HC N3 HC 120.002
4 5 6 N3 C3 C3 119.998
5 6 9 C3 C3 HC 160.004
5 6 10 C3 C3 HC 79.995
7 5 6 C2 C3 C3 120.001
5 6 9 C3 C3 HC 160.004
5 6 10 C3 C3 HC 79.995
8 5 6 HC C3 C3 179.974
5 6 9 C3 C3 HC 160.004
5 6 10 C3 C3 HC 79.995
4 5 7 N3 C3 C2 120.001
6 5 7 C3 C3 C2 120.001
8 5 7 HC C3 C2 59.999
4 5 8 N3 C3 HC 60.002
6 5 8 C3 C3 HC 179.974
7 5 8 C2 C3 HC 59.999
10 6 9 HC C3 HC 80.009
9 6 10 HC C3 HC 80.009
TORSION ANGLES
13 1 6 5 179.974
13 1 6 9 0.026
13 1 6 10 0.026
14 2 7 3 0.026
14 2 7 5 179.974
6 5 4 11 0.026
6 5 4 12 179.974
7 5 4 11 179.974
7 5 4 12 0.026
8 5 4 11 179.974
8 5 4 12 0.026
4 5 6 1 0.026
4 5 6 9 179.974
4 5 6 10 179.974
7 5 6 1 179.974
7 5 6 9 0.026
7 5 6 10 0.026
8 5 6 1 180.000
8 5 6 9 180.000
8 5 6 10 180.000
4 5 7 2 179.974
4 5 7 3 0.026
6 5 7 2 0.026
6 5 7 3 179.974
8 5 7 2 179.974
8 5 7 3 0.026
CHIRAL ATOMS
C 5 is chiral: counterclockwise
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