Geometry & MOs

Info

ID:	87928
PubChem CID:	49898685
Reduced:	SN2O2H24C31 (1)
Stoich.:	AB2C2D24E31 (1)
Weight, g/mol:	412.124549
ΔH_f, kcal/mol:	30.15
Dipole, Da:	7.07
IP(EA), eV:	-8.53(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(7-ethyl-1H-indol-3-yl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)/C=C\4/C(=O)N(C(=O)S4)CC5=CC6=CC=CC=C6C=C5

DOS

IR

Vibrations