Geometry & MOs

Info

ID:	165309
PubChem CID:	74530065
Reduced:	SN2O5H16C20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	414.044106
ΔH_f, kcal/mol:	-114.01
Dipole, Da:	5.96
IP(EA), eV:	-8.93(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-[(4-chlorophenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C=CCN1C(=O)C(=CC2=CC=CC=C2O)SC1=NC3=C(C=C(C=C3)O)C(=O)O

DOS

IR

Vibrations