Geometry & MOs

Info

ID:

432461

PubChem CID:

135172594

Reduced:

F3O8C41H47 (1)

Stoich.:

A3B8C41D47 (1)

Weight, g/mol:

638.381869

ΔHf, kcal/mol:

-455.73

Dipole, Da:

0.95

IP(EA), eV:

 -9.2(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2=CC(=CC(=C2)OCOC(=O)C(=C)CO)OCOC(=O)C(=C)CO)C3=CC=C(C=C3)C4CCC(CC4)CCCCC(F)(F)F

DOS

IR

Vibrations