(20S)-20-Benzyl-25-Chloro-1,4,14,18,21,23-Hexaazatricyclo[20.3.1.0~6,11~]Hexacosa-6,8,10,21,24-Pentaene-3,26-Dione

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Formula C27H33ClN6O2
IUPAC Name (20s,21e)-20-benzyl-25-chloro-1,4,14,18,21,23-hexazatricyclo[20.3.1.06,11]hexacosa-6,8,10,21,24-pentaene-3,26-dione
Molecular Mass 509.043 g·mol−1
Heat of Formation -98.2 ± 16.7 kJ·mol−1
Dipole Moment 0.85 ± 1.08 D
Volume 606.39 Å 3
Surface Area 462.18 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
Synonyms
  • (11s)-11-benzyl-6-chloro-1,2,10,11,12,13,14,15,16,17,18,19-dodecahydro-5,9-methano-2,5,8,10,13,17-benzohexaazacyclohenicosine-3,24-dione
  • compound 31
  • l86
InChIKey LYVSCNRRXJZCRV-QHCPKHFHSA-N
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