Geometry & MOs

Info

ID:	219111
PubChem CID:	85090567
Reduced:	SO5H12C13 (2)
Stoich.:	AB5C12D13 (2)
Weight, g/mol:	561.166867
ΔH_f, kcal/mol:	-360.53
Dipole, Da:	14.5
IP(EA), eV:	-8.83(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-acetamido-4-benzoyloxy-6-(3-benzoyloxy-1,2-dihydroxypropyl)-2-methylsulfanyloxane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C4CC(OC4O3)OC(=O)C)C(=C2)OS(=O)(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations