Geometry & MOs

Info

ID:	303773
PubChem CID:	124490158
Reduced:	NS2O3C9H13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	247.033686
ΔH_f, kcal/mol:	-123.46
Dipole, Da:	2.83
IP(EA), eV:	-9.19(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=O)[C@@H](SC1=S)CC(=O)OCC

DOS

IR

Vibrations