Geometry & MOs

Info

ID:	385045
PubChem CID:	134978198
Reduced:	KPO5F12H24C34 (1)
Stoich.:	ABC5D12E24F34 (1)
Weight, g/mol:	771.116974
ΔH_f, kcal/mol:	-836.66
Dipole, Da:	11.73
IP(EA), eV:	-8.57(-0.3)
Spin(S_z, S²):	None, None
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=C(C=C7)OC.[K+]

DOS

IR

Vibrations