Geometry & MOs

Info

ID:

409383

PubChem CID:

135082164

Reduced:

ClPO3F12H19C32 (1)

Stoich.:

ABC3D12E19F32 (1)

Weight, g/mol:

771.039313

ΔHf, kcal/mol:

-656.31

Dipole, Da:

8.61

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.054658

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

DOS

IR

Vibrations