Geometry & MOs

Info

ID:

432542

PubChem CID:

135172675

Reduced:

F3O10C36H37 (1)

Stoich.:

A3B10C36D37 (1)

Weight, g/mol:

708.235774

ΔHf, kcal/mol:

-503.37

Dipole, Da:

4.0

IP(EA), eV:

 -9.0(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[4-[difluoro-[4-(5,5,5-trifluoropentyl)phenyl]methoxy]phenyl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations