Geometry & MOs

Info

ID:	52728
PubChem CID:	12015793
Reduced:	O2F9C18H25 (1)
Stoich.:	A2B9C18D25 (1)
Weight, g/mol:	688.226884
ΔH_f, kcal/mol:	-579.6
Dipole, Da:	2.75
IP(EA), eV:	-10.1(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7,8,8,9,9,10,10,10-nonafluoro-2-[6-[(3R,4R)-7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]hexyl]decanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(CCCCCC=C)CCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations