Geometry & MOs

Info

ID:	244087
PubChem CID:	99313634
Reduced:	SN3O5C16H17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	445.14199
ΔH_f, kcal/mol:	-151.68
Dipole, Da:	4.91
IP(EA), eV:	-8.94(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-oxo-1H-pyridin-3-yl)propanamide

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CNC3=O

DOS

IR

Vibrations