Geometry & MOs

Info

ID:

409374

PubChem CID:

135082155

Reduced:

PO3H11F15C21 (1)

Stoich.:

AB3C11D15E21 (1)

Weight, g/mol:

665.075109

ΔHf, kcal/mol:

-877.38

Dipole, Da:

8.42

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754882

Charge, e:

 -1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1C(O[P-]123(C4=CC=CC=C4C(O2)(C(F)(F)F)C(F)(F)F)C5=CC=CC=C5C(O3)(C(F)(F)F)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations