Geometry & MOs

Info

ID:

409379

PubChem CID:

135082160

Reduced:

PO4F12H26C39 (1)

Stoich.:

AB4C12D26E39 (1)

Weight, g/mol:

821.088172

ΔHf, kcal/mol:

-682.44

Dipole, Da:

8.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.109682

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=CC=C8

DOS

IR

Vibrations