Geometry & MOs

Info

ID:

432429

PubChem CID:

135172562

Reduced:

F5O9H33C34 (1)

Stoich.:

A5B9C33D34 (1)

Weight, g/mol:

710.306653

ΔHf, kcal/mol:

-574.91

Dipole, Da:

4.41

IP(EA), eV:

 -9.12(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCOC1=CC(=CC(=C1)C2=CC=C(C=C2)OC(C3=CC=C(C=C3)CCCCC(F)(F)F)(F)F)OCOC(=O)C(=C)CO

DOS

IR

Vibrations