Geometry & MOs

Info

ID:	165294
PubChem CID:	74528789
Reduced:	ClN2S3O6H15C19 (1)
Stoich.:	AB2C3D6E15F19 (1)
Weight, g/mol:	399.0599
ΔH_f, kcal/mol:	-133.12
Dipole, Da:	8.29
IP(EA), eV:	-9.23(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=C2C(=O)N(C(=S)S2)NS(=O)(=O)C3=CC=C(C=C3)Cl)OCCC(=O)O

DOS

IR

Vibrations