Geometry & MOs

Info

ID:

432433

PubChem CID:

135172566

Reduced:

F4O9C36H38 (1)

Stoich.:

A4B9C36D38 (1)

Weight, g/mol:

664.397519

ΔHf, kcal/mol:

-512.5

Dipole, Da:

4.4

IP(EA), eV:

 -8.93(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenoxy]ethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCCOC1=CC(=CC(=C1)C2=CC=C(C=C2)OCC3=CC(=C(C=C3)CCCCC(F)(F)F)F)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations