Geometry & MOs

Info

ID:

409378

PubChem CID:

135082159

Reduced:

PO3F15H19C33 (1)

Stoich.:

AB3C15D19E33 (1)

Weight, g/mol:

817.137709

ΔHf, kcal/mol:

-830.86

Dipole, Da:

10.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.108947

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=CC=C7)C(F)(F)F

DOS

IR

Vibrations