Geometry & MOs

Info

ID:	176232
PubChem CID:	76014765
Reduced:	OCl2N2S2H14C16 (1)
Stoich.:	AB2C2D2E14F16 (1)
Weight, g/mol:	339.067762
ΔH_f, kcal/mol:	-10.92
Dipole, Da:	3.47
IP(EA), eV:	-8.61(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-ethoxyphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,10,12-tetraene-4,6-dione

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)NC3=C(SC(=S)N23)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations