Geometry & MOs

Info

ID:	815
PubChem CID:	3391
Reduced:	F3O6C23H29 (1)
Stoich.:	A3B6C23D29 (1)
Weight, g/mol:	458.191623
ΔH_f, kcal/mol:	-402.96
Dipole, Da:	9.25
IP(EA), eV:	-9.47(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3,5-dihydroxy-2-[3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

C1C(C(C(C1O)C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)CC=CCCCC(=O)O)O

DOS

IR

Vibrations