Geometry & MOs

Info

ID:	168630
PubChem CID:	74997658
Reduced:	FNaCl2O5C19H22 (1)
Stoich.:	ABC2D5E19F22 (1)
Weight, g/mol:	420.090657
ΔH_f, kcal/mol:	-274.31
Dipole, Da:	17.02
IP(EA), eV:	-8.15(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2,4-dichloro-6-[cyclohexylidene(fluoro)methyl]phenoxy]-3,5-dihydroxyhexanoic acid

Drug info:

PubChemData

Smile

C1CCC(=C(C2=C(C(=CC(=C2)Cl)Cl)OCC(CC(CC(=O)[O-])O)O)F)CC1.[Na+]

DOS

IR

Vibrations