Geometry & MOs

Info

ID:

432432

PubChem CID:

135172565

Reduced:

FO3C12H13 (3)

Stoich.:

AB3C12D13 (3)

Weight, g/mol:

690.245195

ΔHf, kcal/mol:

-465.71

Dipole, Da:

3.08

IP(EA), eV:

 -8.8(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[4-[[3-fluoro-4-(5,5,5-trifluoropentyl)phenyl]methoxy]phenyl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCCOC1=CC(=CC(=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)CCCCC(F)(F)F)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations