Geometry & MOs

Info

ID:

432465

PubChem CID:

135172598

Reduced:

O8C37H50 (1)

Stoich.:

A8B37C50 (1)

Weight, g/mol:

742.444469

ΔHf, kcal/mol:

-334.44

Dipole, Da:

1.01

IP(EA), eV:

 -8.93(-0.56)

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-nonylcyclohexyl)phenyl]phenyl]phenoxy]ethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C/C=C/CCC1CCC(CC1)C2=CC(=C(C=C2)C3=CC(=CC(=C3)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO)C

DOS

IR

Vibrations