Geometry & MOs

Info

ID:	189726
PubChem CID:	77896149
Reduced:	ClNOSC11H14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	247.121986
ΔH_f, kcal/mol:	-50.96
Dipole, Da:	4.94
IP(EA), eV:	-9.69(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C(CNC1C(=O)S)C2=CC=CC=C2.Cl

DOS

IR

Vibrations