Geometry & MOs

Info

ID:

180462

PubChem CID:

76637376

Reduced:

ZnN2Si2S5C32H34 (1)

Stoich.:

AB2C2D5E32F34 (1)

Weight, g/mol:

552.177217

ΔHf, kcal/mol:

104.7

Dipole, Da:

21.48

IP(EA), eV:

 -6.7(-2.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

beryllium;azanide;2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenol;2-(1,3-benzothiazol-2-yl)-4,6-dimethylphenolate;hydroxide

Drug info:

PubChemData

Smile

C[Si](C)(C)C1=CC(=C(C=C1)[S-])C2=NC3=CC=CC=C3S2.C[Si](C)(C)C1=CC(=C2NC3=CC=CC=C3S2)C(=S)C=C1.[SH-].[Zn+2]

DOS

IR

Vibrations