Geometry & MOs

Info

ID:	27723
PubChem CID:	823279
Reduced:	SO4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	269.100499
ΔH_f, kcal/mol:	-111.99
Dipole, Da:	4.26
IP(EA), eV:	-8.92(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[2-(4-chlorophenyl)sulfanylethyl]-3-methylpiperidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=C(C=C2)CS(=O)C[C@@H](CO)O

DOS

IR

Vibrations