Geometry & MOs

Info

ID:	304183
PubChem CID:	124498232
Reduced:	SN2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	312.129634
ΔH_f, kcal/mol:	1.18
Dipole, Da:	1.71
IP(EA), eV:	-8.49(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(6-phenylsulfanylpyridin-3-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)SC1=C(C=CC=N1)[C@H]2CCCN2

DOS

IR

Vibrations