Geometry & MOs

Info

ID:	383071
PubChem CID:	134974579
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	341.119798
ΔH_f, kcal/mol:	-100.63
Dipole, Da:	5.67
IP(EA), eV:	-8.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-acetyl-4-pyrrolidin-1-yl-6-sulfanylidene-1H-pyridin-2-yl)benzamide

Drug info:

PubChemData

Smile

CC(=O)/C=C(\CC(=O)NC(=O)C1=CC=CC=C1)/N2CCCC2

DOS

IR

Vibrations