Geometry & MOs

Info

ID:	171081
PubChem CID:	75324794
Reduced:	NSO4H25C26 (1)
Stoich.:	ABC4D25E26 (1)
Weight, g/mol:	426.140199
ΔH_f, kcal/mol:	-92.18
Dipole, Da:	4.23
IP(EA), eV:	-8.4(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)OCC

DOS

IR

Vibrations