Geometry & MOs

Info

ID:	303772
PubChem CID:	124490157
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	247.033686
ΔH_f, kcal/mol:	-46.98
Dipole, Da:	2.55
IP(EA), eV:	-9.82(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(5S)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C(=O)[C@@H]1NC(=O)C3CC3

DOS

IR

Vibrations