Geometry & MOs

Info

ID:	300526
PubChem CID:	121360419
Reduced:	ClNS2O5H10C13 (1)
Stoich.:	ABC2D5E10F13 (1)
Weight, g/mol:	339.023515
ΔH_f, kcal/mol:	-158.07
Dipole, Da:	6.72
IP(EA), eV:	-9.42(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5E)-5-[(4-hydroxy-3-methoxy-5-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1O)O)Cl)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)O

DOS

IR

Vibrations