Geometry & MOs

Info

ID:	46765
PubChem CID:	10527110
Reduced:	ClSO4H5C7 (2)
Stoich.:	ABC4D5E7 (2)
Weight, g/mol:	441.099457
ΔH_f, kcal/mol:	-289.24
Dipole, Da:	8.92
IP(EA), eV:	-9.89(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S)-5-acetyloxy-4-azido-3-benzoyloxythiolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC(=CC2=CC(=CC(=C21)OC(=O)C)S(=O)(=O)Cl)S(=O)(=O)Cl

DOS

IR

Vibrations