Geometry & MOs

Info

ID:	171271
PubChem CID:	75351820
Reduced:	BrNSO6H18C20 (1)
Stoich.:	ABCD6E18F20 (1)
Weight, g/mol:	507.03512
ΔH_f, kcal/mol:	-167.51
Dipole, Da:	3.19
IP(EA), eV:	-8.46(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCCN2C(=O)C(=CC3=CC(=C(C=C3Br)O)OC)SC2=O

DOS

IR

Vibrations