Geometry & MOs

Info

ID:	87911
PubChem CID:	49898566
Reduced:	NSCl3O4H18C25 (1)
Stoich.:	ABC3D4E18F25 (1)
Weight, g/mol:	497.02964
ΔH_f, kcal/mol:	-92.27
Dipole, Da:	2.21
IP(EA), eV:	-8.76(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-3-(naphthalen-2-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=C(C=CC=C3Cl)Cl)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations