Geometry & MOs

Info

ID:	165310
PubChem CID:	74530153
Reduced:	ClSN2O4H15C20 (1)
Stoich.:	ABC2D4E15F20 (1)
Weight, g/mol:	429.063071
ΔH_f, kcal/mol:	-79.21
Dipole, Da:	7.41
IP(EA), eV:	-9.6(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-ethyl-5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C=CCN1C(=O)C(=CC2=CC=C(C=C2)Cl)SC1=NC3=CC(=C(C=C3)C(=O)O)O

DOS

IR

Vibrations