Geometry & MOs

Info

ID:	432077
PubChem CID:	135172209
Reduced:	SO5C11H16 (1)
Stoich.:	AB5C11D16 (1)
Weight, g/mol:	232.040545
ΔH_f, kcal/mol:	-236.0
Dipole, Da:	3.76
IP(EA), eV:	-9.64(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxycarbonyl-2-oxothiolan-3-yl)acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC1C(CSC1=O)C(=O)OCC

DOS

IR

Vibrations