Geometry & MOs

Info

ID:	349035
PubChem CID:	127274761
Reduced:	S2O3N4C16H24 (1)
Stoich.:	A2B3C4D16E24 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-93.22
Dipole, Da:	1.96
IP(EA), eV:	-8.85(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methylpyridin-2-yl)-1-[2-(oxan-2-ylmethylsulfanyl)acetyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)NC2=NC(=CS2)CN3CCOCC3

DOS

IR

Vibrations