Geometry & MOs

Info

ID:	70501
PubChem CID:	48413437
Reduced:	O2S2N4H18C19 (1)
Stoich.:	A2B2C4D18E19 (1)
Weight, g/mol:	391.082447
ΔH_f, kcal/mol:	27.5
Dipole, Da:	2.94
IP(EA), eV:	-8.68(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations