Geometry & MOs

Info

ID:	145044
PubChem CID:	53451939
Reduced:	SO2N4H24C26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	442.070896
ΔH_f, kcal/mol:	68.16
Dipole, Da:	3.03
IP(EA), eV:	-8.53(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[[5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C=C2C3C=C(NN3S(=O)(=O)C)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations