Geometry & MOs

Info

ID:

432473

PubChem CID:

135172606

Reduced:

O4C22H29 (2)

Stoich.:

A4B22C29 (2)

Weight, g/mol:

638.212753

ΔHf, kcal/mol:

-341.56

Dipole, Da:

3.94

IP(EA), eV:

 -8.95(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4=CC(=CC(=C4)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO)CC

DOS

IR

Vibrations