Geometry & MOs

Info

ID:

432682

PubChem CID:

135172818

Reduced:

F3O6C37H41 (1)

Stoich.:

A3B6C37D41 (1)

Weight, g/mol:

642.244053

ΔHf, kcal/mol:

-377.14

Dipole, Da:

3.34

IP(EA), eV:

 -9.06(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2=CC(=C(C=C2)CCOC(=O)C(=C)CO)CCOC(=O)C(=C)CO)C3=CC=C(C=C3)CCCCC(F)(F)F

DOS

IR

Vibrations