Geometry & MOs

Info

ID:	304169
PubChem CID:	124497852
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	236.098334
ΔH_f, kcal/mol:	-85.91
Dipole, Da:	6.19
IP(EA), eV:	-8.36(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(6-sulfanylidene-1H-pyridin-3-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@@H]1C2=CNC(=S)C=C2

DOS

IR

Vibrations