Geometry & MOs

Info

ID:	383090
PubChem CID:	134974612
Reduced:	O2H6C7 (1)
Stoich.:	A2B6C7 (1)
Weight, g/mol:	403.135448
ΔH_f, kcal/mol:	53.86
Dipole, Da:	1.61
IP(EA), eV:	-10.35(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CC#C[C@H]1[C@@H](O1)CO

DOS

IR

Vibrations