Geometry & MOs

Info

ID:	233575
PubChem CID:	91145493
Reduced:	N4O4C5H8 (1)
Stoich.:	A4B4C5D8 (1)
Weight, g/mol:	586.07863
ΔH_f, kcal/mol:	-151.7
Dipole, Da:	4.5
IP(EA), eV:	-8.53(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-[4-[2-chloro-5-(trifluoromethyl)phenyl]-5-cyano-6-oxo-1H-pyridin-2-yl]-2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)benzamide

Drug info:

PubChemData

Smile

C(NC(=O)NC1=C(NC(=O)N1)O)O

DOS

IR

Vibrations