Geometry & MOs

Info

ID:	432076
PubChem CID:	135172208
Reduced:	SO5C9H12 (1)
Stoich.:	AB5C9D12 (1)
Weight, g/mol:	260.071845
ΔH_f, kcal/mol:	-226.22
Dipole, Da:	6.33
IP(EA), eV:	-9.68(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-ethoxy-2-oxoethyl)-5-oxothiolane-3-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations