Geometry & MOs

Info

ID:	7797
PubChem CID:	74161
Reduced:	SO2C5H9 (2)
Stoich.:	AB2C5D9 (2)
Weight, g/mol:	266.064651
ΔH_f, kcal/mol:	-204.06
Dipole, Da:	1.62
IP(EA), eV:	-9.26(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(3-ethoxy-3-oxopropyl)disulfanyl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCSSCCC(=O)OCC

DOS

IR

Vibrations