Geometry & MOs

Info

ID:	87861
PubChem CID:	49898061
Reduced:	NSCl2O4H19C25 (1)
Stoich.:	ABC2D4E19F25 (1)
Weight, g/mol:	501.056835
ΔH_f, kcal/mol:	-86.96
Dipole, Da:	2.07
IP(EA), eV:	-9.1(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,6-dichlorophenyl)methyl]-5-[(2,7-diethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations