Geometry & MOs

Info

ID:	70500
PubChem CID:	48413436
Reduced:	ClO2S2N4C17H17 (1)
Stoich.:	AB2C2D4E17F17 (1)
Weight, g/mol:	398.087118
ΔH_f, kcal/mol:	-4.88
Dipole, Da:	4.04
IP(EA), eV:	-8.53(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-cyanobenzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC1NS(=O)(=O)C2=CN=C(C=C2)Cl)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations