Geometry & MOs

Info

ID:	444618
PubChem CID:	135263030
Reduced:	BrSN2O4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	468.216141
ΔH_f, kcal/mol:	-110.64
Dipole, Da:	6.45
IP(EA), eV:	-8.86(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-N-[phenyl-(2-piperidin-1-ylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=CC4=C(C=C3)NS(=O)(=O)C4)Br

DOS

IR

Vibrations