Geometry & MOs

Info

ID:

432430

PubChem CID:

135172563

Reduced:

F3O8C40H45 (1)

Stoich.:

A3B8C40D45 (1)

Weight, g/mol:

704.372447

ΔHf, kcal/mol:

-454.3

Dipole, Da:

5.23

IP(EA), eV:

 -8.99(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC=C(C=C2)C3=CC(=CC(=C3)OCOC(=O)C(=C)CO)OCOC(=O)C(=C)CO)C4CCC(CC4)CCCCC(F)(F)F

DOS

IR

Vibrations