Geometry & MOs

Info

ID:	337826
PubChem CID:	127258449
Reduced:	S2O3C10H12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	248.054087
ΔH_f, kcal/mol:	-93.33
Dipole, Da:	3.92
IP(EA), eV:	-8.61(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1Z)-1-(1-oxo-1,3-dithiolan-2-ylidene)propan-2-yl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(=C1SC=CS1)C=O

DOS

IR

Vibrations