Geometry & MOs

Info

ID:	87732
PubChem CID:	49896864
Reduced:	ClISN2O6H22C24 (1)
Stoich.:	ABCD2E6F22G24 (1)
Weight, g/mol:	472.00924
ΔH_f, kcal/mol:	-159.08
Dipole, Da:	4.27
IP(EA), eV:	-9.3(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)I)OCC4=CC=CC=C4Cl

DOS

IR

Vibrations