Geometry & MOs

Info

ID:

432438

PubChem CID:

135172571

Reduced:

O4C15H20 (2)

Stoich.:

A4B15C20 (2)

Weight, g/mol:

732.403747

ΔHf, kcal/mol:

-306.67

Dipole, Da:

4.05

IP(EA), eV:

 -9.02(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCC1=C(C=C(C=C1)OCOC(=O)C(=C)CO)C2=CC(=CC=C2)OCOCOCC(=C)CO

DOS

IR

Vibrations