Geometry & MOs

Info

ID:

389297

PubChem CID:

134992074

Reduced:

CuP2S2F6O6H40C50 (1)

Stoich.:

AB2C2D6E6F40G50 (1)

Weight, g/mol:

893.19581

ΔHf, kcal/mol:

-357.11

Dipole, Da:

26.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.490259

Charge, e:

 0

Chem-info

IUPAC name:

chlororuthenium(1+);nitroxyl anion;(6Z)-6-[[[(2R)-2-[[(Z)-[6-oxo-5-(2-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-2-(2-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Cu+2]

DOS

IR

Vibrations