Geometry & MOs

Info

ID:	182677
PubChem CID:	76922607
Reduced:	ClNSH10C13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	330.03678
ΔH_f, kcal/mol:	63.51
Dipole, Da:	2.61
IP(EA), eV:	-8.89(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-6-(3-ethyl-6-methyl-1H-benzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCC(=C(C1=CC2=CC=CC=C2S1)Cl)C#N

DOS

IR

Vibrations