Geometry & MOs

Info

ID:	122261
PubChem CID:	50800367
Reduced:	ClN2S2O3C17H17 (1)
Stoich.:	AB2C2D3E17F17 (1)
Weight, g/mol:	425.97075
ΔH_f, kcal/mol:	-94.29
Dipole, Da:	2.44
IP(EA), eV:	-9.05(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)Cl)SC1=O

DOS

IR

Vibrations