Geometry & MOs

Info

ID:

51729

PubChem CID:

12014457

Reduced:

N3O5H9C10 (2)

Stoich.:

A3B5C9D10 (2)

Weight, g/mol:

1451.8413

ΔHf, kcal/mol:

-18.9

Dipole, Da:

18.37

IP(EA), eV:

 -10.08(-2.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6E)-6-[[[(1R,2R)-2-[[(E)-(3,5-diiodo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]-2,4-diiodocyclohexa-2,4-dien-1-one;ruthenium;triphenylphosphane

Drug info:

PubChemData

Smile

C1C[C@H]([C@@H](CC1)N/C=C\2/C(=O)C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])N/C=C\3/C(=O)C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations