Geometry & MOs

Info

ID:	125121
PubChem CID:	50910424
Reduced:	ZnN2S2O4H22C24 (1)
Stoich.:	AB2C2D4E22F24 (1)
Weight, g/mol:	335.999601
ΔH_f, kcal/mol:	57.1
Dipole, Da:	4.26
IP(EA), eV:	-7.91(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	4

Chem-info

IUPAC name:

isoquinoline;ruthenium(3+);thiolan-1-ylideneoxidanium

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[NH+]=CC(=O)C2=CC=CO2)[SH2+].C1=CC=C(C(=C1)[NH+]=CC(=O)C2=CC=CO2)[SH2+].[Zn+2]

DOS

IR

Vibrations