Geometry & MOs

Info

ID:

409385

PubChem CID:

135082166

Reduced:

PO5F12H28C40 (1)

Stoich.:

AB5C12D28E40 (1)

Weight, g/mol:

855.0492

ΔHf, kcal/mol:

-594.28

Dipole, Da:

5.92

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.144487

Charge, e:

 -1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(C([P-]34(O2)(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=CC=C7)C8=CC=C(C=C8)OC

DOS

IR

Vibrations