Geometry & MOs

Info

ID:

408883

PubChem CID:

135081653

Reduced:

PO4C20H22 (1)

Stoich.:

AB4C20D22 (1)

Weight, g/mol:

876.123571

ΔHf, kcal/mol:

-118.67

Dipole, Da:

7.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754832

Charge, e:

 0

Chem-info

IUPAC name:

gold(1+);1-(triphenyl-lambda5-phosphanylidene)propan-2-one;triphenylphosphane;perchlorate

Drug info:

PubChemData

Smile

CCOC(=CP(=CC(=O)OCC)(C1=CC=CC=C1)C2=CC=CC=C2)[O-]

DOS

IR

Vibrations