Geometry & MOs

Info

ID:	393586
PubChem CID:	135021146
Reduced:	NOC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	497.187209
ΔH_f, kcal/mol:	-14.78
Dipole, Da:	3.5
IP(EA), eV:	-8.11(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-[hydroxy-(2-methoxyphenyl)methyl]-4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol

Drug info:

PubChemData

Smile

CCCN1C(C2=CC=CC3=C2C1=CC=C3)CCO

DOS

IR

Vibrations