Geometry & MOs

Info

ID:

10702

PubChem CID:

106958

Reduced:

CoLi2S2O8N10H26C32 (1)

Stoich.:

AB2C2D8E10F26G32 (1)

Weight, g/mol:

815.102851

ΔHf, kcal/mol:

-79.85

Dipole, Da:

26.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.865273

Charge, e:

 0

Chem-info

IUPAC name:

dilithium;4-azanidylsulfonyl-2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenolate;cobalt(2+)

Drug info:

PubChemData

Smile

[Li+].[Li+].CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)[NH-])[O-])C3=CC=CC=C3.CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)[NH-])[O-])C3=CC=CC=C3.[Co+2]

DOS

IR

Vibrations