Geometry & MOs

Info

ID:	123152
PubChem CID:	50835417
Reduced:	ClN2O2S2H19C22 (1)
Stoich.:	AB2C2D2E19F22 (1)
Weight, g/mol:	442.057648
ΔH_f, kcal/mol:	-10.45
Dipole, Da:	6.38
IP(EA), eV:	-8.97(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1S(=O)(=O)NC2=CC(=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)Cl

DOS

IR

Vibrations