Geometry & MOs

Info

ID:

432413

PubChem CID:

135172546

Reduced:

O4C19H27 (2)

Stoich.:

A4B19C27 (2)

Weight, g/mol:

600.272318

ΔHf, kcal/mol:

-364.16

Dipole, Da:

3.31

IP(EA), eV:

 -9.03(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[2-(hydroxymethyl)prop-2-enoyloxymethoxy]-5-[4-[2-(4-pentylphenyl)ethynyl]phenyl]phenoxy]methyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC(=C(C=C2)C3=CC(=CC(=C3)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO)CC

DOS

IR

Vibrations