Geometry & MOs

Info

ID:	88075
PubChem CID:	49900560
Reduced:	SN3O8H19C28 (1)
Stoich.:	AB3C8D19E28 (1)
Weight, g/mol:	384.093249
ΔH_f, kcal/mol:	-48.99
Dipole, Da:	6.23
IP(EA), eV:	-8.99(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(1H-indol-3-ylmethylidene)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC4=CC=CC=C43)OC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations