Geometry & MOs

Info

ID:	87820
PubChem CID:	49897741
Reduced:	ISN2O6C26H27 (1)
Stoich.:	ABC2D6E26F27 (1)
Weight, g/mol:	434.151158
ΔH_f, kcal/mol:	-164.76
Dipole, Da:	4.66
IP(EA), eV:	-9.4(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)I)OCC4=CC=CC=C4C

DOS

IR

Vibrations