Geometry & MOs

Info

ID:	123153
PubChem CID:	50835418
Reduced:	ClN2O2S2H19C22 (1)
Stoich.:	AB2C2D2E19F22 (1)
Weight, g/mol:	491.93686
ΔH_f, kcal/mol:	-15.88
Dipole, Da:	5.1
IP(EA), eV:	-8.92(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[3-chloro-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC(=CC(=C4)C)C)Cl

DOS

IR

Vibrations