Geometry & MOs

Info

ID:

432445

PubChem CID:

135172578

Reduced:

O2C10H13 (4)

Stoich.:

A2B10C13 (4)

Weight, g/mol:

708.235774

ΔHf, kcal/mol:

-332.62

Dipole, Da:

3.55

IP(EA), eV:

 -8.78(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[difluoro-[4-[4-(5,5,5-trifluoropentyl)phenyl]phenyl]methoxy]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCC1=CC2=C(C=C1)C=C(C=C2)C3=CC=C(C=C3)C4CC(CC(C4)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations