Geometry & MOs

Info

ID:

432696

PubChem CID:

135172832

Reduced:

F3O9C34H35 (1)

Stoich.:

A3B9C34D35 (1)

Weight, g/mol:

680.204473

ΔHf, kcal/mol:

-467.4

Dipole, Da:

3.66

IP(EA), eV:

 -9.07(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCOC1=CC(=CC(=C1)OCC2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC(F)(F)F)OCOC(=O)C(=C)CO

DOS

IR

Vibrations