Geometry & MOs

Info

ID:	226473
PubChem CID:	87457450
Reduced:	SO4C8H14 (1)
Stoich.:	AB4C8D14 (1)
Weight, g/mol:	206.06128
ΔH_f, kcal/mol:	-177.25
Dipole, Da:	3.36
IP(EA), eV:	-9.23(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-ethoxy-3-hydroxy-4-sulfanylidenebutanoate

Drug info:

PubChemData

Smile

CCOC(=S)CC(C(=O)OCC)O

DOS

IR

Vibrations