Geometry & MOs

Info

ID:	142083
PubChem CID:	52978043
Reduced:	S2N4O5H12C15 (1)
Stoich.:	A2B4C5D12E15 (1)
Weight, g/mol:	512.01539
ΔH_f, kcal/mol:	-32.23
Dipole, Da:	9.1
IP(EA), eV:	-9.65(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-4-bromo-N-[3-(2,5-dimethoxyphenyl)iminoquinoxalin-2-ylidene]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)/N=C\2/N=C3C=CC(=CC3S2)[N+](=O)[O-]

DOS

IR

Vibrations