Geometry & MOs

Info

ID:	139736
PubChem CID:	52586918
Reduced:	SN3O3C25H33 (1)
Stoich.:	AB3C3D25E33 (1)
Weight, g/mol:	321.035705
ΔH_f, kcal/mol:	-70.3
Dipole, Da:	5.21
IP(EA), eV:	-8.86(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4CC4

DOS

IR

Vibrations