Geometry & MOs

Info

ID:

180404

PubChem CID:

76628840

Reduced:

PtSiS2N6H16C26 (1)

Stoich.:

ABC2D6E16F26 (1)

Weight, g/mol:

536.198108

ΔHf, kcal/mol:

603.13

Dipole, Da:

34.23

IP(EA), eV:

 -7.22(-4.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-benzyl-5-[4-(5-methoxy-5-oxo-4-phenylperoxysulfanylpenta-1,3-dienyl)piperazin-1-yl]penta-2,4-dienoate

Drug info:

PubChemData

Smile

C[Si](C)(C1=NN(C=C1)C2=[C-]C=CC3=C2SC(=C3)C#N)C4=NN(C=C4)C5=[C-]C=CC6=C5SC(=C6)[N+]#[C-].[Pt+2]

DOS

IR

Vibrations