Geometry & MOs

Info

ID:	71956
PubChem CID:	48415656
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	394.180504
ΔH_f, kcal/mol:	7.51
Dipole, Da:	4.52
IP(EA), eV:	-8.98(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CCCC1=NC2=CC=CC=C2N1)SC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations