Geometry & MOs

Info

ID:	171165
PubChem CID:	75337030
Reduced:	ClNSO6H20C22 (1)
Stoich.:	ABCD6E20F22 (1)
Weight, g/mol:	363.114044
ΔH_f, kcal/mol:	-187.95
Dipole, Da:	8.55
IP(EA), eV:	-9.02(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-[(4-butoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=O)C(=CC2=C(C(=CC=C2)OC)OCC3=CC=C(C=C3)Cl)SC1=O

DOS

IR

Vibrations