Geometry & MOs

Info

ID:

409386

PubChem CID:

135082167

Reduced:

PCl2O3F12H22C38 (1)

Stoich.:

AB2C3D12E22F38 (1)

Weight, g/mol:

635.028159

ΔHf, kcal/mol:

-629.27

Dipole, Da:

8.54

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.777997

Charge, e:

 -1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(O[P-]234(C5=CC=CC=C5C(O3)(C(F)(F)F)C(F)(F)F)C6=CC=CC=C6C(O4)(C(F)(F)F)C(F)(F)F)(C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl

DOS

IR

Vibrations