Geometry & MOs

Info

ID:

409376

PubChem CID:

135082157

Reduced:

ClPO3F12H15C26 (1)

Stoich.:

ABC3D12E15F26 (1)

Weight, g/mol:

787.127145

ΔHf, kcal/mol:

-695.96

Dipole, Da:

4.64

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.108856

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)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations