Geometry & MOs

Info

ID:	180936
PubChem CID:	76708175
Reduced:	ClCuN3S3H9C15 (1)
Stoich.:	ABC3D3E9F15 (1)
Weight, g/mol:	419.016745
ΔH_f, kcal/mol:	139.2
Dipole, Da:	4.25
IP(EA), eV:	-8.7(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(19),3(21),4,6,9(20),10,12,15,17-nonaene;trioxomolybdenum

Drug info:

PubChemData

Smile

C1=CC2=NC(=C1)SC3=NC(=CC=C3)SC4=CC=CC(=N4)S2.Cl[Cu]

DOS

IR

Vibrations