Geometry & MOs

Info

ID:

432687

PubChem CID:

135172823

Reduced:

F4O8C37H40 (1)

Stoich.:

A4B8C37D40 (1)

Weight, g/mol:

730.369253

ΔHf, kcal/mol:

-487.23

Dipole, Da:

5.16

IP(EA), eV:

 -9.02(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[2-ethyl-4-[4-[4-(5,5,5-trifluoropentyl)cyclohexyl]cyclohexyl]phenyl]-5-[2-(hydroxymethyl)prop-2-enoyloxymethoxy]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)CCC3=CC(=C(C=C3)CCCCC(F)(F)F)F)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations