Geometry & MOs

Info

ID:	167938
PubChem CID:	74901025
Reduced:	ClN3O5H16C18 (1)
Stoich.:	AB3C5D16E18 (1)
Weight, g/mol:	459.044644
ΔH_f, kcal/mol:	-104.34
Dipole, Da:	3.7
IP(EA), eV:	-9.37(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[[3-(1-carboxypropoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CCOCC1=CC=C(O1)C(=O)NNC(=O)C2C=NC3=C(C2=O)C=C(C=C3)Cl

DOS

IR

Vibrations