Geometry & MOs

Info

ID:

384310

PubChem CID:

134976740

Reduced:

KPO3H10F18C22 (1)

Stoich.:

ABC3D10E18F22 (1)

Weight, g/mol:

695.70371

ΔHf, kcal/mol:

-1131.11

Dipole, Da:

13.52

IP(EA), eV:

 -10.1(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4,5,6,7-pentachloro-2-methyl-2-[3-(2,4,5,6,7-pentachloro-2-methyl-1,3,2lambda5-benzodioxaphosphol-2-yl)propyl]-1,3,2lambda5-benzodioxaphosphole

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)(C(F)(F)F)C(F)(F)F.[K+]

DOS

IR

Vibrations