Geometry & MOs

Info

ID:	120867
PubChem CID:	50747267
Reduced:	ClO3N4H23C26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	488.161518
ΔH_f, kcal/mol:	-56.01
Dipole, Da:	4.72
IP(EA), eV:	-8.62(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(5-chloro-2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C)C2=NC3=CC=CC=C3N(C2=O)C(C)C(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations