Geometry & MOs

Info

ID:	87741
PubChem CID:	49896931
Reduced:	N2S2O7H18C20 (1)
Stoich.:	A2B2C7D18E20 (1)
Weight, g/mol:	470.01472
ΔH_f, kcal/mol:	-212.59
Dipole, Da:	5.6
IP(EA), eV:	-8.91(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)OS(=O)(=O)C

DOS

IR

Vibrations