Geometry & MOs

Info

ID:	87763
PubChem CID:	49897117
Reduced:	ISN2O6H19C20 (1)
Stoich.:	ABC2D6E19F20 (1)
Weight, g/mol:	472.005133
ΔH_f, kcal/mol:	-115.4
Dipole, Da:	2.07
IP(EA), eV:	-9.23(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]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)OCC#C

DOS

IR

Vibrations