Geometry & MOs

Info

ID:	70502
PubChem CID:	48413440
Reduced:	FO2S2N3C18H18 (1)
Stoich.:	AB2C2D3E18F18 (1)
Weight, g/mol:	409.073025
ΔH_f, kcal/mol:	-54.27
Dipole, Da:	5.68
IP(EA), eV:	-8.55(-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]-3,4-difluorobenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations