Geometry & MOs

Info

ID:

432485

PubChem CID:

135172618

Reduced:

F3O10C36H37 (1)

Stoich.:

A3B10C36D37 (1)

Weight, g/mol:

746.419397

ΔHf, kcal/mol:

-504.87

Dipole, Da:

1.19

IP(EA), eV:

 -9.19(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[4-[3-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-2-methylphenyl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations