Geometry & MOs

Info

ID:	123264
PubChem CID:	50840005
Reduced:	ClN2S3O4H15C16 (1)
Stoich.:	AB2C3D4E15F16 (1)
Weight, g/mol:	452.089821
ΔH_f, kcal/mol:	-97.61
Dipole, Da:	5.65
IP(EA), eV:	-9.1(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-(2-propylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)C1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations