2-(4-Azido-3-Iodophenyl)Ethyl (1R,2S,3S,5S)-3-(4-Chlorophenyl)-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylate

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Properties Simple | Detailed

Formula C23H24ClIN4O2
IUPAC Name [6-(4-chlorocyclohexa-2,5-dien-1-ylidene)-7-[9-hydroxy-4-(iminoiminioamino)-5-iodo-nona-2,6,8-triynoyl]cyclohepta-2,4-dien-1-yl]-methylidyne-ammonium
Molecular Mass 550.820 g·mol−1
Heat of Formation 100.8 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 538.44 Å 3
Surface Area 387.69 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,3s,5s)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid 2-(4-azido-3-iodo-phenyl)ethyl ester
  • (1r,2s,3s,5s)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid 2-(4-azido-3-iodophenyl)ethyl ester
  • 2-(4-azido-3-iodo-phenyl)ethyl (1r,2s,3s,5s)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
InChIKey PFEYQHAJVMQAQQ-KKXYHZGYSA-N
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