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D-Cysteine
D-Cysteine ID: API-42798
CAS:921-01-7
Supplier:APIchem

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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
              ------------------------------------------------------------------
   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
              ------------------------------------------------------------------
   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
              ----------------------
   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
   6    1   13   C3   S3   HC    119.998
   7    2   14   C2   O3   HO    120.002
   5    4   11   C3   N3   HC    120.000
   5    4   12   C3   N3   HC    119.998
  11    4   12   HC   N3   HC    120.002
   4    5    6   N3   C3   C3    119.998
   4    5    7   N3   C3   C2    120.001
   4    5    8   N3   C3   HC     60.002
   6    5    7   C3   C3   C2    120.001
   6    5    8   C3   C3   HC    179.974
   7    5    8   C2   C3   HC     59.999
   1    6    5   S3   C3   C3    119.998
   1    6    9   S3   C3   HC     79.998
   1    6   10   S3   C3   HC    160.007
   5    6    9   C3   C3   HC    160.004
   5    6   10   C3   C3   HC     79.995
   9    6   10   HC   C3   HC     80.009
   2    7    3   O3   C2   O2    120.001
   2    7    5   O3   C2   C3    119.999
   3    7    5   O2   C2   C3    120.001


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
   8    5    7    3      0.026