Geometry & MOs

Info

ID:	14208
PubChem CID:	406642
Reduced:	BrClO2S2N3H15C21 (1)
Stoich.:	ABC2D2E3F15G21 (1)
Weight, g/mol:	518.94776
ΔH_f, kcal/mol:	25.78
Dipole, Da:	2.72
IP(EA), eV:	-9.17(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-bromophenyl)quinoxalin-2-yl]-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2C4=CC=C(C=C4)Br

DOS

IR

Vibrations