Geometry & MOs

Info

ID:	140047
PubChem CID:	52635863
Reduced:	OF2N2H16C20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	374.146427
ΔH_f, kcal/mol:	-54.43
Dipole, Da:	4.1
IP(EA), eV:	-8.76(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-1-ethylpiperidin-3-yl] 2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=CC=CC=C2C(=O)NC3=C(C=CC(=C3)F)F

DOS

IR

Vibrations