Geometry & MOs

Info

ID:	171162
PubChem CID:	75336949
Reduced:	BrNSO7C26H28 (1)
Stoich.:	ABCD7E26F28 (1)
Weight, g/mol:	403.054815
ΔH_f, kcal/mol:	-270.83
Dipole, Da:	3.06
IP(EA), eV:	-9.29(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=O)C(=CC2=CC(=C(C(=C2)Br)OC(=O)C34CC5CC(C3)CC(C5)C4)OC)SC1=O

DOS

IR

Vibrations