Geometry & MOs

Info

ID:

226831

PubChem CID:

87558551

Reduced:

SiZrCl2H54C56 (1)

Stoich.:

ABC2D54E56 (1)

Weight, g/mol:

698.173374

ΔHf, kcal/mol:

42.71

Dipole, Da:

2.93

IP(EA), eV:

 -6.85(-1.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-azaniumylethyldisulfanyl)ethylazanium;N,N-dibenzylcarbamodithioate

Drug info:

PubChemData

Smile

C[Si](C)(C1=C([CH-]C2=C1C(=CC=C2)C3=CC=C(C=C3)C4CCCCC4)C5=CC=CC=C5)C6=C([CH-]C7=C6C(=CC=C7)C8=CC=C(C=C8)C9CCCCC9)C1=CC=CC=C1.[Cl-].[Cl-].[Zr+4]

DOS

IR

Vibrations