Geometry & MOs

Info

ID:	123151
PubChem CID:	50835361
Reduced:	N2O2S3C16H16 (1)
Stoich.:	A2B2C3D16E16 (1)
Weight, g/mol:	442.057648
ΔH_f, kcal/mol:	-17.18
Dipole, Da:	6.04
IP(EA), eV:	-8.74(-1.25)
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]-2-ethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=C(S2)C)S(=O)(=O)NC3=CC=CC=C3)C

DOS

IR

Vibrations