Geometry & MOs

Info

ID:	133405
PubChem CID:	51522126
Reduced:	BrN2O3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	393.088019
ΔH_f, kcal/mol:	-17.14
Dipole, Da:	7.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.324392
Charge, e:	0

Chem-info

IUPAC name:

2-[(2Z)-2-[[3-[(2-chlorobenzoyl)amino]phenyl]methylidene]hydrazinyl]benzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)/C=N\NC2=CC=CC=C2C(=O)[O-]

DOS

IR

Vibrations