Geometry & MOs

Info

ID:	409387
PubChem CID:	135082168
Reduced:	PO4F12H12C25 (1)
Stoich.:	AB4C12D12E25 (1)
Weight, g/mol:	635.064544
ΔH_f, kcal/mol:	-708.37
Dipole, Da:	4.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.859785
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)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

DOS

IR

Vibrations