Geometry & MOs

Info

ID:

432405

PubChem CID:

135172538

Reduced:

O4C18H23 (2)

Stoich.:

A4B18C23 (2)

Weight, g/mol:

644.223317

ΔHf, kcal/mol:

-291.85

Dipole, Da:

5.35

IP(EA), eV:

 -8.97(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[2-(hydroxymethyl)prop-2-enoyloxymethoxy]-5-[4-[[4-(5,5,5-trifluoropentyl)phenyl]methoxy]phenyl]phenoxy]methyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC(=CC(=C3)OCOC(=O)C(C)(C)CO)OCOC(=O)C(=C)CO

DOS

IR

Vibrations