Geometry & MOs

Info

ID:	177503
PubChem CID:	76194595
Reduced:	SO3N5H13C19 (1)
Stoich.:	AB3C5D13E19 (1)
Weight, g/mol:	443.161184
ΔH_f, kcal/mol:	103.8
Dipole, Da:	3.27
IP(EA), eV:	-8.7(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(cyclohexanecarbonylamino)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N3C=CSC3=N2)C=NNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations