Geometry & MOs

Info

ID:	313468
PubChem CID:	126614898
Reduced:	ClN2S2O5H17C20 (1)
Stoich.:	AB2C2D5E17F20 (1)
Weight, g/mol:	346.985291
ΔH_f, kcal/mol:	-149.83
Dipole, Da:	2.91
IP(EA), eV:	-9.22(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-4-oxo-2-sulfanyl-1,3-thiazolidin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC(=C(C=C3)C(O)O)O)Cl

DOS

IR

Vibrations