Geometry & MOs

Info

ID:	171004
PubChem CID:	75311291
Reduced:	SN2O3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	631.05081
ΔH_f, kcal/mol:	-81.3
Dipole, Da:	6.05
IP(EA), eV:	-8.45(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1CC2NC3=CSC=C3C(=O)N2

DOS

IR

Vibrations