Geometry & MOs

Info

ID:	87819
PubChem CID:	49897740
Reduced:	SN2O6C21H26 (1)
Stoich.:	AB2C6D21E26 (1)
Weight, g/mol:	622.06345
ΔH_f, kcal/mol:	-208.9
Dipole, Da:	5.49
IP(EA), eV:	-8.52(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-ethoxy-5-iodo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)OC

DOS

IR

Vibrations