Geometry & MOs

Info

ID:	312879
PubChem CID:	126609405
Reduced:	NCl2S2O3H11C13 (1)
Stoich.:	AB2C2D3E11F13 (1)
Weight, g/mol:	472.039893
ΔH_f, kcal/mol:	-99.8
Dipole, Da:	2.61
IP(EA), eV:	-9.25(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CC2C(=O)N(C(=S)S2)CCC(=O)O)Cl

DOS

IR

Vibrations