Geometry & MOs

Info

ID:	123260
PubChem CID:	50839811
Reduced:	N2S3O4C17H18 (1)
Stoich.:	A2B3C4D17E18 (1)
Weight, g/mol:	396.027221
ΔH_f, kcal/mol:	-99.61
Dipole, Da:	10.69
IP(EA), eV:	-8.96(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)C

DOS

IR

Vibrations