Geometry & MOs

Info

ID:	86742
PubChem CID:	49888819
Reduced:	BrClSN2O2H12C19 (1)
Stoich.:	ABCD2E2F12G19 (1)
Weight, g/mol:	373.053942
ΔH_f, kcal/mol:	-9.78
Dipole, Da:	5.06
IP(EA), eV:	-9.02(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CNC4=C3C=C(C=C4)Br)/SC2=O)Cl

DOS

IR

Vibrations