Geometry & MOs

Info

ID:	304166
PubChem CID:	124497834
Reduced:	OSN2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	362.11227
ΔH_f, kcal/mol:	6.39
Dipole, Da:	3.73
IP(EA), eV:	-8.72(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-methylsulfanylpyridine

Drug info:

PubChemData

Smile

CSC1=C(C=CC=N1)[C@H]2CCCCN2C(=O)C3=CC=CC=C3

DOS

IR

Vibrations