Sign In Join Free

Products Information

Sydnophen monohydrochloride 5-amino-3-(1-methyl-2-phenylethyl)-2,3-dihydro-1,2,3-oxadiazol-2-ium chloride
Sydnophen monohydrochloride
5-amino-3-(1-methyl-2-phenylethyl)-2,3-dihydro-1,2,3-oxadiazol-2-ium chloride ID: BBC/526
CAS:3441-64-3
Supplier:Aronis

Get a quote


SMILES:[Cl-].O1[NH2+]N(C(Cc2ccccc2)C)C=C1N	160690
FORMULA: C11H16ClN3O
MASS: 241.7172
EXACT MASS: 241.0981898
INTERATOMIC DISTANCES

             Cl   1      O   2      N   3      N   4      N   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   O   2    6.0099     0.0000 
   N   3    4.9554     1.6235     0.0000 
   N   4    5.9036     1.0060     0.9996     0.0000 
   N   5    5.2181     1.7813     2.5915     2.5909     0.0000 
   C   6    4.7815     2.5933     1.0000     1.7815     3.5242     0.0000 
   C   7    3.9058     3.3309     1.7262     2.6710     3.8518     0.9966 
   C   8    5.6369     3.0599     1.7262     2.0813     4.3133     0.9966 
   C   9    4.0681     4.2627     2.6394     3.5064     4.8505     1.7262 
   C  10    4.4068     1.6218     0.9996     1.6180     1.7868     1.7815 
   C  11    5.1557     1.0000     1.6235     1.6218     0.9988     2.5933 
   C  12    5.0454     4.5654     2.9933     3.6708     5.4550     1.9933 
   C  13    3.4548     5.0572     3.4583     4.3906     5.3841     2.6407 
   C  14    5.4544     5.5604     3.9933     4.6514     6.4380     2.9933 
   C  15    4.0286     5.9708     4.3528     5.2381     6.3780     3.4583 
   C  16    5.0137     6.1905     4.5760     5.3495     6.8490     3.5990 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.0000     2.0000     0.0000 
   C  10    2.0813     2.6710     3.0810     0.0000 
   C  11    3.0599     3.3309     4.0545     1.0060     0.0000 
   C  12    1.7320     1.7320     1.0000     3.6708     4.5654     0.0000 
   C  13    1.7321     3.0000     1.0001     3.6976     4.7022     1.7321 
   C  14    2.6457     2.6457     1.7320     4.6514     5.5604     1.0000 
   C  15    2.6458     3.6056     1.7321     4.6726     5.6733     2.0000 
   C  16    3.0000     3.4641     2.0000     5.0808     6.0490     1.7320 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    2.0000     0.0000 
   C  15    1.0000     1.7321     0.0000 
   C  16    1.7321     1.0000     1.0001     0.0000 



ATOMIC CHARGES
  Cl   1    0.0000000000
   O   2   -0.2184885651
   N   3   -0.0790494755
   N   4    0.6749454528
   N   5   -0.0805764609
   C   6    0.1393402280
   C   7    0.0518946121
   C   8    0.0278310328
   C   9   -0.0203278886
   C  10    0.1880941799
   C  11    0.3254192165
   C  12   -0.0042093317
   C  13   -0.0042093317
   C  14   -0.0003218252
   C  15   -0.0003218252
   C  16   -0.0000200181


BOND ANGLES
   4    2   11  Nox   O2   C2    107.887
   4    3    6  Nox  Npl   C3    125.973
   4    3   10  Nox  Npl   C2    108.053
   6    3   10   C3  Npl   C2    125.973
   2    4    3   O2  Nox  Npl    108.086
   3    6    7  Npl   C3   C3    119.667
   3    6    8  Npl   C3   C3    119.667
   7    6    8   C3   C3   C3    120.666
   6    7    9   C3   C3  Car    119.667
   7    9   12   C3  Car  Car    120.001
   7    9   13   C3  Car  Car    119.998
  12    9   13  Car  Car  Car    120.001
   3   10   11  Npl   C2   C2    108.086
   2   11    5   O2   C2  Npl    126.052
   2   11   10   O2   C2   C2    107.887
   5   11   10  Npl   C2   C2    126.061
   9   12   14  Car  Car  Car    120.001
   9   13   15  Car  Car  Car    119.998
  12   14   16  Car  Car  Car    120.001
  13   15   16  Car  Car  Car    119.998
  14   16   15  Car  Car  Car    120.001


TORSION ANGLES
  11    2    4    3      0.026
   4    2   11    5    179.974
   4    2   11   10      0.026
   6    3    4    2    179.974
  10    3    4    2      0.026
   4    3    6    7    179.974
   4    3    6    8      0.026
  10    3    6    7      0.026
  10    3    6    8    179.974
   4    3   10   11      0.026
   6    3   10   11    179.974
   3    6    7    9    179.974
   8    6    7    9      0.026
   6    7    9   12      0.026
   6    7    9   13    179.974
   7    9   12   14    179.974
  13    9   12   14      0.026
   7    9   13   15    179.974
  12    9   13   15      0.026
   3   10   11    2      0.026
   3   10   11    5    179.974
   9   12   14   16      0.026
   9   13   15   16      0.026
  12   14   16   15      0.026
  13   15   16   14      0.026


CHIRAL ATOMS
  13   15   16   14      0.026