Geometry & MOs

Info

ID:	244084
PubChem CID:	99313631
Reduced:	OSN4H18C22 (1)
Stoich.:	ABC4D18E22 (1)
Weight, g/mol:	443.162725
ΔH_f, kcal/mol:	79.29
Dipole, Da:	2.63
IP(EA), eV:	-8.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(2-oxo-1H-pyridin-3-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=NC=C2C(=O)NC3=CC=CC(=C3)CSC4=CC=CC=N4

DOS

IR

Vibrations