Geometry & MOs

Info

ID:

432462

PubChem CID:

135172595

Reduced:

O4C19H27 (2)

Stoich.:

A4B19C27 (2)

Weight, g/mol:

644.332474

ΔHf, kcal/mol:

-357.52

Dipole, Da:

0.59

IP(EA), eV:

 -8.67(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[2-ethyl-4-[4-(5,5,5-trifluoropentyl)cyclohexyl]phenyl]-2-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]phenyl]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=CC(=C3)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO)CC

DOS

IR

Vibrations