Geometry & MOs

Info

ID:	87832
PubChem CID:	49897816
Reduced:	ClNSO3H18C23 (1)
Stoich.:	ABCD3E18F23 (1)
Weight, g/mol:	441.99868
ΔH_f, kcal/mol:	-54.47
Dipole, Da:	3.94
IP(EA), eV:	-8.85(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[(E)-3-(4-bromophenyl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC4=CC=CC=C43)Cl

DOS

IR

Vibrations