Geometry & MOs

Info

ID:

193483

PubChem CID:

78399586

Reduced:

SN3O6H12C14 (1)

Stoich.:

AB3C6D12E14 (1)

Weight, g/mol:

284.071641

ΔHf, kcal/mol:

-53.09

Dipole, Da:

9.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.167316

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2-chloro-3-phenylprop-2-enylidene)amino]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=NNS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations