Geometry & MOs

Info

ID:	278280
PubChem CID:	103834548
Reduced:	ClNSO4C14H20 (1)
Stoich.:	ABCD4E14F20 (1)
Weight, g/mol:	317.085242
ΔH_f, kcal/mol:	-172.1
Dipole, Da:	1.18
IP(EA), eV:	-9.44(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Cl)OC)O

DOS

IR

Vibrations