Geometry & MOs

Info

ID:	87945
PubChem CID:	49898871
Reduced:	SN2F3O5H17C28 (1)
Stoich.:	AB2C3D5E17F28 (1)
Weight, g/mol:	524.155849
ΔH_f, kcal/mol:	-167.79
Dipole, Da:	6.78
IP(EA), eV:	-8.83(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-(naphthalen-1-ylmethyl)-5-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C4=CC=CC=C4OC5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-])/SC3=O

DOS

IR

Vibrations