Geometry & MOs

Info

ID:	87064
PubChem CID:	49891473
Reduced:	FNS2O6H20C28 (1)
Stoich.:	ABC2D6E20F28 (1)
Weight, g/mol:	435.130443
ΔH_f, kcal/mol:	-170.61
Dipole, Da:	7.93
IP(EA), eV:	-8.77(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3F)OS(=O)(=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations