Geometry & MOs

Info

ID:

389172

PubChem CID:

134991391

Reduced:

RuSbP2O3F26H33C54 (1)

Stoich.:

ABC2D3E26F33G54 (1)

Weight, g/mol:

998.061917

ΔHf, kcal/mol:

-1214.1

Dipole, Da:

12.74

IP(EA), eV:

 -8.48(-3.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2R)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxy-1,2-bis(3,5-dimethylphenyl)ethoxy]-bis(2,3,4,5,6-pentafluorophenyl)phosphane

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)[C@H]([C@@H](C2=CC(=CC(=C2)C)C)OP(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F)OP(C5=C(C(=C(C(=C5F)F)F)F)F)C6=C(C(=C(C(=C6F)F)F)F)F)C.CC(=O)C.C1=CC=C2[CH]C=CC2=C1.F[Sb-](F)(F)(F)(F)F.[Ru+]

DOS

IR

Vibrations