Geometry & MOs

Info

ID:

159767

PubChem CID:

57288729

Reduced:

NPO2H5C8F14 (3)

Stoich.:

ABC2D5E8F14 (3)

Weight, g/mol:

473.149341

ΔHf, kcal/mol:

-2503.84

Dipole, Da:

3.31

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.648281

Charge, e:

 1

Chem-info

IUPAC name:

triphenyl-[4,4,4-trifluoro-1-[(2-methylpropan-2-yl)oxy]-1,3-dioxobutan-2-yl]phosphanium

Drug info:

PubChemData

Smile

C(C(C(C(F)(F)F)(F)F)(F)F)O[P+]1(N[P+](N[P+](N1)(OCC(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F)(OCC(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F

DOS

IR

Vibrations