Geometry & MOs

Info

ID:	142084
PubChem CID:	52978044
Reduced:	BrSN4O4H17C22 (1)
Stoich.:	ABC4D4E17F22 (1)
Weight, g/mol:	523.03137
ΔH_f, kcal/mol:	44.06
Dipole, Da:	2.59
IP(EA), eV:	-8.05(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(Z)-[3-(2-bromo-4-methylphenyl)iminoquinoxalin-2-ylidene]amino]sulfonylphenyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)N=C2/C(=N/S(=O)(=O)C3=CC=C(C=C3)Br)/N=C4C=CC=CC4=N2

DOS

IR

Vibrations