Geometry & MOs

Info

ID:

432476

PubChem CID:

135172609

Reduced:

O8C37H50 (1)

Stoich.:

A8B37C50 (1)

Weight, g/mol:

656.356048

ΔHf, kcal/mol:

-336.21

Dipole, Da:

4.03

IP(EA), eV:

 -8.98(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations