Geometry & MOs

Info

ID:	409388
PubChem CID:	135082169
Reduced:	PO3F12H16C26 (1)
Stoich.:	AB3C12D16E26 (1)
Weight, g/mol:	741.106409
ΔH_f, kcal/mol:	-565.2
Dipole, Da:	10.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.079842
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1C(O[P-]123(C4=CC=CC=C4C(O2)(C(F)(F)F)C(F)(F)F)C5=CC=CC=C5C(O3)(C(F)(F)F)C(F)(F)F)C6=CC=CC=C6

DOS

IR

Vibrations