Geometry & MOs

Info

ID:	182348
PubChem CID:	76878122
Reduced:	SN2O3C24H24 (1)
Stoich.:	AB2C3D24E24 (1)
Weight, g/mol:	481.083421
ΔH_f, kcal/mol:	-37.7
Dipole, Da:	3.27
IP(EA), eV:	-8.05(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(3,4-dichlorophenyl)methyl]-1-ethyl-2,3-dioxo-N-(pyridin-2-ylmethyl)quinoxalin-1-ium-6-carboxamide

Drug info:

PubChemData

Smile

CCN1CC(=CC2=CC(=C(C=C2)SC)OC)C3=NC4=CC=CC=C4C(=C3C1)C(=O)O

DOS

IR

Vibrations