Geometry & MOs

Info

ID:	70506
PubChem CID:	48413445
Reduced:	ClO2S2N3C18H18 (1)
Stoich.:	AB2C2D3E18F18 (1)
Weight, g/mol:	401.123169
ΔH_f, kcal/mol:	-16.66
Dipole, Da:	5.91
IP(EA), eV:	-8.57(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations