Geometry & MOs

Info

ID:

432417

PubChem CID:

135172550

Reduced:

O4C19H26 (2)

Stoich.:

A4B19C26 (2)

Weight, g/mol:

638.212753

ΔHf, kcal/mol:

-341.65

Dipole, Da:

4.0

IP(EA), eV:

 -9.02(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2CCC(CC2)CC/C=C/C)C3=CC(=CC(=C3)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations