Geometry & MOs

Info

ID:	167939
PubChem CID:	74901257
Reduced:	NS2O7H17C21 (1)
Stoich.:	AB2C7D17E21 (1)
Weight, g/mol:	426.088557
ΔH_f, kcal/mol:	-206.02
Dipole, Da:	7.88
IP(EA), eV:	-9.42(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[[3-(1-carboxyethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid

Drug info:

PubChemData

Smile

CCC(C(=O)O)OC1=CC=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC(=C(C=C3)O)C(=O)O

DOS

IR

Vibrations