Geometry & MOs

Info

ID:

432451

PubChem CID:

135172584

Reduced:

O3C16H18 (2)

Stoich.:

A3B16C18 (2)

Weight, g/mol:

662.326639

ΔHf, kcal/mol:

-210.35

Dipole, Da:

2.16

IP(EA), eV:

 -8.9(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-5-[2-[1-hydroxy-2-(hydroxymethyl)prop-2-enoxy]ethoxy]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=CC(=C3)OC(=O)C(C)(C)CO)OC(=O)C(=C)CO

DOS

IR

Vibrations