Geometry & MOs

Info

ID:	87221
PubChem CID:	49893325
Reduced:	NSCl2O2H19C21 (1)
Stoich.:	ABC2D2E19F21 (1)
Weight, g/mol:	446.989898
ΔH_f, kcal/mol:	-56.46
Dipole, Da:	4.48
IP(EA), eV:	-9.51(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,4-dichlorophenyl)methyl]-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations