Geometry & MOs

Info

ID:	153441
PubChem CID:	56312640
Reduced:	FN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	443.167891
ΔH_f, kcal/mol:	-132.21
Dipole, Da:	3.78
IP(EA), eV:	-9.2(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CCN1C2=CC=CC=C2OC1=O)C3=CC=CC=C3F

DOS

IR

Vibrations