Geometry & MOs

Info

ID:

226987

PubChem CID:

87559428

Reduced:

Cl2O8N10C61H88 (1)

Stoich.:

A2B8C10D61E88 (1)

Weight, g/mol:

561.014956

ΔHf, kcal/mol:

-370.2

Dipole, Da:

11.08

IP(EA), eV:

 -8.44(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

diphenylsilylidenezirconium(2+);2-ethyl-4-phenyl-1H-inden-1-ide;dichloride

Drug info:

PubChemData

Smile

CCCOC1(CCN(CC1)C(=O)[C@@H](CC2=CC=C(C=C2)OC)NC(=O)NCCC3=CN(C=N3)C)C4CCCCC4.C1CCC(CC1)C2(CCN(CC2)C(=O)[C@@H](CC3=C(C=C(C=C3)Cl)Cl)NC(=O)NCCCCCC4=CN=CN4)C(=O)O

DOS

IR

Vibrations