Geometry & MOs

Info

ID:

409445

PubChem CID:

135082226

Reduced:

Au2P2O4H41C43 (1)

Stoich.:

A2B2C4D41E43 (1)

Weight, g/mol:

1047.13018

ΔHf, kcal/mol:

198.28

Dipole, Da:

17.77

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.754588

Charge, e:

 -2

Chem-info

IUPAC name:

[dimethanidyl(diphenyl)-lambda5-phosphanyl] nitrite;gold;gold(3+);methanidyl benzoate

Drug info:

PubChemData

Smile

[CH3-].[CH2-]P([CH2-])(C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[CH2-]P([CH2-])(C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Au].[Au+3]

DOS

IR

Vibrations