Geometry & MOs

Info

ID:	86942
PubChem CID:	49890098
Reduced:	BrNSCl2O5H12C19 (1)
Stoich.:	ABCD2E5F12G19 (1)
Weight, g/mol:	393.083493
ΔH_f, kcal/mol:	-150.39
Dipole, Da:	3.79
IP(EA), eV:	-9.77(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations