Geometry & MOs

Info

ID:	88410
PubChem CID:	49903344
Reduced:	BrNSO3H20C28 (1)
Stoich.:	ABCD3E20F28 (1)
Weight, g/mol:	450.96445
ΔH_f, kcal/mol:	-12.5
Dipole, Da:	2.58
IP(EA), eV:	-8.78(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C3=CC=CC=C3C=C2)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=CC=C5Br

DOS

IR

Vibrations