Geometry & MOs

Info

ID:	87839
PubChem CID:	49897860
Reduced:	SN2O2H26C33 (1)
Stoich.:	AB2C2D26E33 (1)
Weight, g/mol:	413.004405
ΔH_f, kcal/mol:	33.16
Dipole, Da:	7.44
IP(EA), eV:	-8.58(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)C3=CC=CC=C3)C)/C=C\4/C(=O)N(C(=O)S4)CC5=CC6=CC=CC=C6C=C5

DOS

IR

Vibrations