Geometry & MOs

Info

ID:	188456
PubChem CID:	77719879
Reduced:	FNaN3O5C34H37 (1)
Stoich.:	ABC3D5E34F37 (1)
Weight, g/mol:	398.134108
ΔH_f, kcal/mol:	-271.87
Dipole, Da:	9.06
IP(EA), eV:	-8.71(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3-[2-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C(=C1C(=O)NCCC2=CC=CC=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F)CCC(CC(CC(=O)[O-])O)O.[Na+]

DOS

IR

Vibrations