Geometry & MOs

Info

ID:	387619
PubChem CID:	134986193
Reduced:	SO2N3C11H17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	220.040545
ΔH_f, kcal/mol:	-27.21
Dipole, Da:	10.06
IP(EA), eV:	-8.82(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-acetyl-3-oxo-1,3-oxathiolane-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(/C)\N=S1(=N)CCCC1)/C#N

DOS

IR

Vibrations