Geometry & MOs

Info

ID:

11145

PubChem CID:

111466

Reduced:

Cl3F6O11C28H33 (1)

Stoich.:

A3B6C11D28E33 (1)

Weight, g/mol:

764.099264

ΔHf, kcal/mol:

-812.92

Dipole, Da:

3.31

IP(EA), eV:

 -10.67(-1.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-chloro-2-(4,4,5,5,6,6-hexafluorononoxy)propoxy]carbonyl-2,4-bis[(3-chloro-2-hydroxypropoxy)carbonyl]benzoic acid

Drug info:

PubChemData

Smile

CCCC(C(C(CCCOC(COC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)OCC(CCl)O)C(=O)OCC(CCl)O)CCl)(F)F)(F)F)(F)F

DOS

IR

Vibrations