Geometry & MOs

Info

ID:	156624
PubChem CID:	56371392
Reduced:	ClON4C24H29 (1)
Stoich.:	ABC4D24E29 (1)
Weight, g/mol:	426.172562
ΔH_f, kcal/mol:	-13.51
Dipole, Da:	3.3
IP(EA), eV:	-8.89(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethylbenzimidazol-2-yl)-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)N2CCCC2C3=NC4=CC=CC=C4N3CC

DOS

IR

Vibrations