Geometry & MOs

Info

ID:

411975

PubChem CID:

135084831

Reduced:

BNiF24H29C43 (1)

Stoich.:

ABC24D29E43 (1)

Weight, g/mol:

1554.53834

ΔHf, kcal/mol:

-1159.2

Dipole, Da:

17.99

IP(EA), eV:

 -8.15(-2.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane;palladium(2+);trifluoromethanesulfonate

Drug info:

PubChemData

Smile

[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.C=C[CH2].C1/C=C\CC/C=C\C1.[Ni]

DOS

IR

Vibrations