Geometry & MOs

Info

ID:	88311
PubChem CID:	49902886
Reduced:	NSCl2O2H13C21 (1)
Stoich.:	ABC2D2E13F21 (1)
Weight, g/mol:	521.02964
ΔH_f, kcal/mol:	-13.65
Dipole, Da:	2.32
IP(EA), eV:	-8.96(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)/C(=C/C4=CC(=C(C=C4)Cl)Cl)/SC3=O

DOS

IR

Vibrations