Geometry & MOs

Info

ID:	139737
PubChem CID:	52587096
Reduced:	NSCl2O2C13H17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	321.035705
ΔH_f, kcal/mol:	-87.38
Dipole, Da:	4.78
IP(EA), eV:	-9.53(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(2,5-dichlorophenyl)sulfonyl-3-ethylpiperidine

Drug info:

PubChemData

Smile

CC[C@@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations