Geometry & MOs

Info

ID:	229823
PubChem CID:	87569242
Reduced:	C3O3H5 (2)
Stoich.:	A3B3C5 (2)
Weight, g/mol:	314.082409
ΔH_f, kcal/mol:	-131.57
Dipole, Da:	5.34
IP(EA), eV:	-10.67(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5S)-5-(2-oxoethyl)-1,4-dioxan-2-yl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCCOOOC(=O)C(=O)O

DOS

IR

Vibrations