Geometry & MOs

Info

ID:	165311
PubChem CID:	74530305
Reduced:	SN3O7H15C19 (1)
Stoich.:	AB3C7D15E19 (1)
Weight, g/mol:	418.098728
ΔH_f, kcal/mol:	-141.79
Dipole, Da:	8.16
IP(EA), eV:	-9.94(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-ethyl-5-(naphthalen-1-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CCN1C(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])O)SC1=NC3=CC(=C(C=C3)C(=O)O)O

DOS

IR

Vibrations