Geometry & MOs

Info

ID:	376856
PubChem CID:	134222885
Reduced:	OPF2H24C27 (1)
Stoich.:	ABC2D24E27 (1)
Weight, g/mol:	472.170719
ΔH_f, kcal/mol:	-38.11
Dipole, Da:	8.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.946244
Charge, e:	1

Chem-info

IUPAC name:

[3-(2-(18F)fluoranylethoxy)phenyl]-[(4-methoxycarbonylphenyl)methyl]-diphenylphosphanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)F)(C3=CC=CC=C3)C4=CC=C(C=C4)OCC[18F]

DOS

IR

Vibrations