SMILES:C(=O)([C@@H](N)[C@H](CC)C)OC.Cl	

FORMULA: C7H16ClNO2
MASS: 181.6604
EXACT MASS: 181.0869564
INTERATOMIC DISTANCES

              C   1      C   2      O   3      N   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4321     0.0000 
   O   3    1.4250     2.4771     0.0000 
   N   4    2.4807     1.4292     3.7831     0.0000 
   C   5    2.4750     1.4321     2.8559     2.4807     0.0000 
   O   6    1.4393     2.4833     2.4812     2.8652     3.7900     0.0000 
  Cl   7    4.8376     6.1441     3.7127     7.3169     6.5067     4.9920 
   C   8    2.8559     2.4771     2.4750     3.7831     1.4250     4.2952 
   C   9    3.7941     2.4875     4.2988     2.8688     1.4429     4.9708 
   C  10    2.4875     3.7941     2.8668     4.3009     4.9625     1.4357 
   C  11    2.4807     2.8708     1.4342     4.3000     2.4807     3.7958 

             Cl   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
  Cl   7    0.0000 
   C   8    5.7199     0.0000 
   C   9    7.9352     2.4833     0.0000 
   C  10    4.0887     5.1630     6.2542     0.0000 
   C  11    4.2877     1.4342     3.7986     4.3009     0.0000 



ATOMIC CHARGES
   C   1    0.3346540099
   C   2    0.1899458400
   O   3   -0.2484968406
   N   4   -0.1209797977
   C   5    0.0285108547
   O   6   -0.4434089329
  Cl   7    0.0000000000
   C   8    0.0020031394
   C   9    0.0020633687
   C  10    0.2556473843
   C  11    0.0000609741


BOND ANGLES
   4    2    1   N3   C3   C2    120.219
   1    2    4   C2   C3   N3    120.219
   9    5    2   C3   C3   C3    119.811
   5    2    1   C3   C3   C2    119.561
   5    2    4   C3   C3   N3    120.219
   2    5    9   C3   C3   C3    119.811


TORSION ANGLES
   4    2    1    3    179.974
   4    2    1    6      0.026
   5    2    1    3      0.026
   5    2    1    6    179.974
   8    5    2    1      0.026
   8    5    2    4    179.974
   9    5    2    1    179.974
   9    5    2    4      0.026
  10    6    1    2    179.974
  10    6    1    3      0.026
  11    8    5    2      0.026
  11    8    5    9    179.974


CHIRAL ATOMS
   C     2 is chiral: clockwise
   C     5 is chiral: counterclockwise