Geometry & MOs

Info

ID:	14209
PubChem CID:	406643
Reduced:	BrClO2S2N3H19C23 (1)
Stoich.:	ABC2D2E3F19G23 (1)
Weight, g/mol:	546.97906
ΔH_f, kcal/mol:	5.28
Dipole, Da:	2.94
IP(EA), eV:	-9.16(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-bromophenyl)-6,7-dimethylquinoxalin-2-yl]-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N=C(C(=N2)C3=CC=C(C=C3)Br)NS(=O)(=O)C4=C(C=C(C(=C4)C)Cl)S

DOS

IR

Vibrations