Geometry & MOs

Info

ID:	404353
PubChem CID:	135066020
Reduced:	PO4C17H27 (1)
Stoich.:	AB4C17D27 (1)
Weight, g/mol:	439.953879
ΔH_f, kcal/mol:	-235.22
Dipole, Da:	5.47
IP(EA), eV:	-9.97(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-2-phenyl-3-(trichloromethyl)-3H-benzo[h][1,4,2]benzodioxaphosphepin-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=O)(CCCCCCCCCCC(=O)O)O

DOS

IR

Vibrations