Geometry & MOs

Info

ID:	171006
PubChem CID:	75311293
Reduced:	ZnO2S2N10H20C26 (1)
Stoich.:	AB2C2D10E20F26 (1)
Weight, g/mol:	662.932352
ΔH_f, kcal/mol:	151.1
Dipole, Da:	8.27
IP(EA), eV:	-8.43(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

copper;3-[[3,5-bis(sulfanylidene)-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-].[Zn+2]

DOS

IR

Vibrations