Geometry & MOs

Info

ID:	62592
PubChem CID:	26725091
Reduced:	SO3N4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-47.27
Dipole, Da:	4.03
IP(EA), eV:	-8.97(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CNC(=O)C2=CC=CC=C2NC(=O)CC3=CSC(=N3)C4=CC=CC=N4

DOS

IR

Vibrations