Geometry & MOs

Info

ID:

432415

PubChem CID:

135172548

Reduced:

O10C37H46 (1)

Stoich.:

A10B37C46 (1)

Weight, g/mol:

624.366219

ΔHf, kcal/mol:

-359.44

Dipole, Da:

1.16

IP(EA), eV:

 -8.6(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCCOC3=CC(=CC(=C3)OCCOC(=O)C(=C)CO)OCCOC(C(=C)CO)O

DOS

IR

Vibrations