Geometry & MOs

Info

ID:

432543

PubChem CID:

135172676

Reduced:

F5O9C36H37 (1)

Stoich.:

A5B9C36D37 (1)

Weight, g/mol:

642.244053

ΔHf, kcal/mol:

-575.21

Dipole, Da:

4.3

IP(EA), eV:

 -9.0(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[2-(hydroxymethyl)prop-2-enoyloxymethoxy]-5-[2-[4-[4-(5,5,5-trifluoropentyl)phenyl]phenyl]ethyl]phenoxy]methyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations