Geometry & MOs

Info

ID:

411894

PubChem CID:

135084746

Reduced:

AuClNPO4C46H47 (1)

Stoich.:

ABCDE4F46G47 (1)

Weight, g/mol:

300.05663

ΔHf, kcal/mol:

-42.4

Dipole, Da:

6.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.797435

Charge, e:

 0

Chem-info

IUPAC name:

1,3-dimethyl-2H-imidazol-2-ide;palladium(2+)

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N([C@H](C)C2=CC=CC=C2)[PH+]3OC([C@@H]([C@H](C(O3)(C4=CC=CC=C4)C5=CC=CC=C5)OC)OC)(C6=CC=CC=C6)C7=CC=CC=C7.Cl[Au]

DOS

IR

Vibrations