Geometry & MOs

Info

ID:

442001

PubChem CID:

135247712

Reduced:

O5C27H32 (1)

Stoich.:

A5B27C32 (1)

Weight, g/mol:

652.268376

ΔHf, kcal/mol:

-32.87

Dipole, Da:

2.39

IP(EA), eV:

 -8.29(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[4-[(3-fluoro-4-pentylphenyl)-hydroxymethoxy]phenyl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCOC1=C(C=CC(=C1)C2=CC=C(C=C2)OOC)C3=CC=C(C=C3)OOC

DOS

IR

Vibrations