Geometry & MOs

Info

ID:	278284
PubChem CID:	103834593
Reduced:	NCl2S2O3C11H15 (1)
Stoich.:	AB2C2D3E11F15 (1)
Weight, g/mol:	283.124215
ΔH_f, kcal/mol:	-116.78
Dipole, Da:	2.6
IP(EA), eV:	-9.64(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations