Geometry & MOs

Info

ID:	231412
PubChem CID:	87573644
Reduced:	SN3F4O4H17C20 (1)
Stoich.:	AB3C4D4E17F20 (1)
Weight, g/mol:	270.07712
ΔH_f, kcal/mol:	-247.72
Dipole, Da:	7.78
IP(EA), eV:	-9.06(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-2-piperidin-1-ylpyridin-3-yl)oxyacetic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=N1)C(F)(F)F)/C=C\C(=O)NCC2=CC(=C(C(=C2)F)NS(=O)(=O)C)C#C

DOS

IR

Vibrations