Geometry & MOs

Info

ID:	179200
PubChem CID:	76450824
Reduced:	ON5H23C32 (1)
Stoich.:	AB5C23D32 (1)
Weight, g/mol:	408.087685
ΔH_f, kcal/mol:	163.39
Dipole, Da:	7.74
IP(EA), eV:	-8.43(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-chloro-2-(3-ethyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3H-benzimidazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC4=C5C=CC=CC5=NC(=O)C(=CC6=CNC7=CC=CC=C76)N42

DOS

IR

Vibrations