Geometry & MOs

Info

ID:	70486
PubChem CID:	48413417
Reduced:	S2O3N4C19H20 (1)
Stoich.:	A2B3C4D19E20 (1)
Weight, g/mol:	409.073025
ΔH_f, kcal/mol:	-49.11
Dipole, Da:	4.54
IP(EA), eV:	-8.51(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations