Geometry & MOs

Info

ID:	175087
PubChem CID:	75853966
Reduced:	SO4N5H21C22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-71.18
Dipole, Da:	8.67
IP(EA), eV:	-8.5(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[4-(benzimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1N2C(=O)CCC(=N2)C(=O)NC3=CC=C(C=C3)N4C=NC5=CC=CC=C54

DOS

IR

Vibrations