Geometry & MOs

Info

ID:	192257
PubChem CID:	78250437
Reduced:	Cl2O2N4H18C23 (1)
Stoich.:	A2B2C4D18E23 (1)
Weight, g/mol:	440.01973
ΔH_f, kcal/mol:	53.7
Dipole, Da:	6.04
IP(EA), eV:	-8.94(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[4-oxo-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C3C(C(=C(OC3NN2)N)C#N)C4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations