Geometry & MOs

Info

ID:

381429

PubChem CID:

134972155

Reduced:

PdSnO2C19H34 (1)

Stoich.:

ABC2D19E34 (1)

Weight, g/mol:

724.445138

ΔHf, kcal/mol:

88.0

Dipole, Da:

5.74

IP(EA), eV:

 -4.62(-2.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-O-[(3Z)-5-tert-butyl-3-[[[(1R,2R)-2-[[(Z)-(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]-4-oxocyclohexa-1,5-dien-1-yl] 1-O-[(4-methylphenyl)methyl] pentanedioate

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)OC(=O)C(=[C-]C)C.C#[C-].[Pd+2]

DOS

IR

Vibrations