Geometry & MOs

Info

ID:	250065
PubChem CID:	103093917
Reduced:	BrSCl2O2N3H8C11 (1)
Stoich.:	ABC2D2E3F8G11 (1)
Weight, g/mol:	343.021597
ΔH_f, kcal/mol:	-50.35
Dipole, Da:	7.28
IP(EA), eV:	-8.85(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminophenyl)sulfanyl-N-(3-chloropyridin-2-yl)ethanesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)NS(=O)(=O)C2=CC(=CC(=C2Br)N)Cl)Cl

DOS

IR

Vibrations