Geometry & MOs

Info

ID:

432398

PubChem CID:

135172531

Reduced:

O4C25H28 (1)

Stoich.:

A4B25C28 (1)

Weight, g/mol:

656.356048

ΔHf, kcal/mol:

-90.2

Dipole, Da:

0.81

IP(EA), eV:

 -8.73(0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-[1-hydroxy-2-(hydroxymethyl)prop-2-enoxy]ethoxy]-5-[4-[2-(4-pentylcyclohexyl)oxyethoxy]phenyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(CCC(C)(C2=CC=C(O2)C)C3=CC=C(O3)C)C4=CC=C(O4)C

DOS

IR

Vibrations