Geometry & MOs

Info

ID:	127684
PubChem CID:	51011113
Reduced:	SF3O3C11H15 (1)
Stoich.:	AB3C3D11E15 (1)
Weight, g/mol:	640.09103
ΔH_f, kcal/mol:	-267.09
Dipole, Da:	2.6
IP(EA), eV:	-9.65(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (1R,3S,4S,5S,6S)-5-bromo-6-[tert-butyl(dimethyl)silyl]oxy-3-[(4-nitrophenyl)sulfonyloxymethyl]-2-azabicyclo[2.1.1]hexane-2-carboxylate

Drug info:

PubChemData

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CC1=C[C@H]2CC[C@]1(C2(C)C)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations