Geometry & MOs

Info

ID:	304167
PubChem CID:	124497835
Reduced:	NOSC9H11 (2)
Stoich.:	ABCD9E11 (2)
Weight, g/mol:	362.11227
ΔH_f, kcal/mol:	-38.38
Dipole, Da:	5.49
IP(EA), eV:	-8.39(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@@H]2C3=C(N=CC=C3)SC

DOS

IR

Vibrations