Geometry & MOs

Info

ID:	123263
PubChem CID:	50840004
Reduced:	ClN2S3O4H13C15 (1)
Stoich.:	AB2C3D4E13F15 (1)
Weight, g/mol:	429.988248
ΔH_f, kcal/mol:	-99.03
Dipole, Da:	5.57
IP(EA), eV:	-9.07(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)C

DOS

IR

Vibrations