Geometry & MOs

Info

ID:	87830
PubChem CID:	49897776
Reduced:	ClNSBr2O3H18C28 (1)
Stoich.:	ABCD2E3F18G28 (1)
Weight, g/mol:	443.078721
ΔH_f, kcal/mol:	-11.8
Dipole, Da:	3.91
IP(EA), eV:	-8.98(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C4=CC(=C(C(=C4)Br)OCC5=CC=CC=C5Cl)Br)/SC3=O

DOS

IR

Vibrations