Geometry & MOs

Info

ID:

432680

PubChem CID:

135172816

Reduced:

F3O8C35H43 (1)

Stoich.:

A3B8C35D43 (1)

Weight, g/mol:

674.250281

ΔHf, kcal/mol:

-477.44

Dipole, Da:

4.38

IP(EA), eV:

 -9.12(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[3-ethyl-4-[3-fluoro-4-(6,6,6-trifluorohexyl)phenyl]phenyl]-5-[2-(hydroxymethyl)prop-2-enoyloxymethoxy]phenoxy]methyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2=CC(=C(C=C2)OCOC(=O)C(=C)CO)OCOC(=O)C(=C)CO)C3CCC(CC3)CCCCC(F)(F)F

DOS

IR

Vibrations