Geometry & MOs

Info

ID:	216089
PubChem CID:	85085693
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	224.017701
ΔH_f, kcal/mol:	-146.15
Dipole, Da:	2.0
IP(EA), eV:	-9.92(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-1,3-dioxo-1,3-dithiolane-2-carboxylate

Drug info:

PubChemData

Smile

CCC=CCC1(C(CCC1=O)CC(=O)O)C

DOS

IR

Vibrations