Geometry & MOs

Info

ID:	186533
PubChem CID:	77443155
Reduced:	ClSO2N7C17H18 (1)
Stoich.:	ABC2D7E17F18 (1)
Weight, g/mol:	463.077282
ΔH_f, kcal/mol:	68.78
Dipole, Da:	6.11
IP(EA), eV:	-8.49(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[3-[(4-sulfanylidenecyclohexa-2,5-dien-1-ylidene)amino]quinoxalin-2-yl]sulfamoyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CN(C(=NNC=NC1=CC2=C(C=C1)NN=C2)CS(=O)(=O)C3=CC=C(C=C3)Cl)N

DOS

IR

Vibrations