Geometry & MOs

Info

ID:

410010

PubChem CID:

135082798

Reduced:

Au4P4H79C81 (1)

Stoich.:

A4B4C79D81 (1)

Weight, g/mol:

2538.47479

ΔHf, kcal/mol:

546.07

Dipole, Da:

10.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 5.196807

Charge, e:

 0

Chem-info

IUPAC name:

bis(2-methylphenyl)-phenylphosphane;carbanide;gold;gold(1+);tetrafluoroborate

Drug info:

PubChemData

Smile

[CH3-].CC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3C.CC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3C.CC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3C.CC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3C.[Au].[Au].[Au].[Au+]

DOS

IR

Vibrations