Geometry & MOs

Info

ID:	123259
PubChem CID:	50839810
Reduced:	S3N4O4C13H14 (1)
Stoich.:	A3B4C4D13E14 (1)
Weight, g/mol:	410.042871
ΔH_f, kcal/mol:	-83.35
Dipole, Da:	13.67
IP(EA), eV:	-8.7(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)C

DOS

IR

Vibrations