Geometry & MOs

Info

ID:

411726

PubChem CID:

135084560

Reduced:

PdP2O6C46H50 (1)

Stoich.:

AB2C6D46E50 (1)

Weight, g/mol:

417.087554

ΔHf, kcal/mol:

-140.38

Dipole, Da:

11.18

IP(EA), eV:

 -5.88(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

copper;(6Z)-2-hydroxy-6-[[[(1R,2R)-2-[[(Z)-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)[PH+](C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)[PH+](C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.O.O.[Pd]

DOS

IR

Vibrations