Geometry & MOs

Info

ID:

432425

PubChem CID:

135172558

Reduced:

F3O8C37H37 (1)

Stoich.:

A3B8C37D37 (1)

Weight, g/mol:

656.334918

ΔHf, kcal/mol:

-375.41

Dipole, Da:

3.56

IP(EA), eV:

 -8.78(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCCOC1=CC(=CC(=C1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)CCCCC(F)(F)F)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations