SMILES:C[N+](C)(C)C.OS(=O)(=O)[O-]	ChemMol.com

FORMULA: C4H13NO4S
MASS: 171.2153
EXACT MASS: 171.0565289
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.8250     0.0000 
   C   3    1.6500     0.8250     0.0000 
   C   4    1.1667     0.8250     1.1667     0.0000 
   C   5    1.1667     0.8250     1.1667     1.6500     0.0000 
   O   6    3.6536     3.7456     4.0089     2.9465     4.5540     0.0000 
   S   7    3.7456     3.6536     3.7456     2.8286     4.4786     0.8250 
   O   8    4.0089     3.7456     3.6536     2.9465     4.5540     1.6500 
   O   9    4.5540     4.4786     4.5540     3.6536     5.3036     1.1667 
   O  10    2.9465     2.8286     2.9465     2.0036     3.6536     1.1667 

              S   7      O   8      O   9      O  10
              --------------------------------------------
   S   7    0.0000 
   O   8    0.8250     0.0000 
   O   9    0.8250     1.1667     0.0000 
   O  10    0.8250     1.1667     1.6500     0.0000 



ATOMIC CHARGES
   C   1    0.1712205871
   N   2    0.3151176514
   C   3    0.1712205871
   C   4    0.1712205871
   C   5    0.1712205871
   O   6   -0.0683539112
   S   7    0.0301110514
   O   8   -0.2661322289
   O   9   -0.3428124556
   O  10   -0.3428124556


BOND ANGLES
   4    2    3   C3  N3+   C3     90.000
   5    2    3   C3  N3+   C3     90.000
   3    2    4   C3  N3+   C3     90.000
   5    2    4   C3  N3+   C3    179.974
   3    2    5   C3  N3+   C3     90.000
   4    2    5   C3  N3+   C3    179.974
   9    7    8   O2  Sac   O-     90.000
  10    7    8   O2  Sac   O-     90.000
   8    7    9   O-  Sac   O2     90.000
  10    7    9   O2  Sac   O2    179.974
   8    7   10   O-  Sac   O2     90.000
   9    7   10   O2  Sac   O2    179.974


TORSION ANGLES