Geometry & MOs

Info

ID:	18322
PubChem CID:	539638
Reduced:	SO10C19H24 (1)
Stoich.:	AB10C19D24 (1)
Weight, g/mol:	444.109018
ΔH_f, kcal/mol:	-425.04
Dipole, Da:	2.92
IP(EA), eV:	-10.06(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-diacetyloxy-6-[(4-methylphenyl)sulfonyloxymethyl]oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations