Geometry & MOs

Info

ID:	87821
PubChem CID:	49897745
Reduced:	SN2O6C21H26 (1)
Stoich.:	AB2C6D21E26 (1)
Weight, g/mol:	448.166808
ΔH_f, kcal/mol:	-210.74
Dipole, Da:	3.77
IP(EA), eV:	-8.5(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)OCC

DOS

IR

Vibrations