Geometry & MOs

Info

ID:	337827
PubChem CID:	127258450
Reduced:	S2O3C10H16 (1)
Stoich.:	A2B3C10D16 (1)
Weight, g/mol:	234.038437
ΔH_f, kcal/mol:	-118.55
Dipole, Da:	3.62
IP(EA), eV:	-8.62(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)OC(C)/C=C\1/SCCS1=O

DOS

IR

Vibrations