Geometry & MOs

Info

ID:	14127
PubChem CID:	405011
Reduced:	IPO3H22C28 (1)
Stoich.:	ABC3D22E28 (1)
Weight, g/mol:	564.03513
ΔH_f, kcal/mol:	21.81
Dipole, Da:	7.93
IP(EA), eV:	-8.83(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-1-(triphenyl-lambda5-phosphanylidene)propyl]-1lambda3,2-benziodoxol-3-one

Drug info:

PubChemData

Smile

CC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)I4C5=CC=CC=C5C(=O)O4

DOS

IR

Vibrations