Geometry & MOs

Info

ID:

171005

PubChem CID:

75311292

Reduced:

CuO2S2N10H20C26 (1)

Stoich.:

AB2C2D10E20F26 (1)

Weight, g/mol:

632.050354

ΔHf, kcal/mol:

277.63

Dipole, Da:

3.03

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.499229

Charge, e:

 0

Chem-info

IUPAC name:

zinc;3-[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]quinolin-2-olate

Drug info:

PubChemData

Smile

CC1=NNC(=S)N1N=CC2=CC3=CC=CC=C3N=C2[O-].CC1=NNC(=S)N1N=CC2=CC3=CC=CC=C3N=C2[O-].[Cu+2]

DOS

IR

Vibrations