Geometry & MOs

Info

ID:	65473
PubChem CID:	38671828
Reduced:	N3O3H21C22 (1)
Stoich.:	A3B3C21D22 (1)
Weight, g/mol:	486.230077
ΔH_f, kcal/mol:	-48.98
Dipole, Da:	4.72
IP(EA), eV:	-8.77(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-ethyl-N-(furan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)OCC2=CC=CC=N2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations