Geometry & MOs

Info

ID:	165314
PubChem CID:	74530308
Reduced:	SN3O4H15C18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	368.083078
ΔH_f, kcal/mol:	-82.27
Dipole, Da:	6.63
IP(EA), eV:	-9.63(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-ethyl-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations