Geometry & MOs

Info

ID:	409381
PubChem CID:	135082162
Reduced:	PO3F15H15C27 (1)
Stoich.:	AB3C15D15E27 (1)
Weight, g/mol:	741.106409
ΔH_f, kcal/mol:	-863.95
Dipole, Da:	3.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.105655
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)C(F)(F)F

DOS

IR

Vibrations