Geometry & MOs

Info

ID:	199305
PubChem CID:	79228316
Reduced:	ClN2O2S2C14H17 (1)
Stoich.:	AB2C2D2E14F17 (1)
Weight, g/mol:	265.11365
ΔH_f, kcal/mol:	-45.65
Dipole, Da:	10.25
IP(EA), eV:	-9.2(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-phenylsulfanylethyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=NC(=CN1CCSC2=CC=CC=C2)S(=O)(=O)Cl

DOS

IR

Vibrations