Geometry & MOs

Info

ID:	304186
PubChem CID:	124498452
Reduced:	OSN2H22C23 (1)
Stoich.:	ABC2D22E23 (1)
Weight, g/mol:	424.12792
ΔH_f, kcal/mol:	37.95
Dipole, Da:	4.51
IP(EA), eV:	-8.66(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-phenylsulfanylpyridine

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)C2=CN=C(C=C2)SC3=CC=CC=C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations