(13R,15S)-13-Methyl-16-Oxa-8,9,12,22,24-Pentaazahexacyclo[15.6.2.1~6,9~.1~12,15~.0~2,7~.0~21,25~]Heptacosa-1(24),2,4,6,17(25),18,20-Heptaene-23,27-Dione

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Formula C22H21N5O3+
IUPAC Name (13r,15s)-13-methyl-16-oxa-8,9,12,22,24-pentaazahexacyclo[15.6.2.1 6,9 .1 12,15 .0 2,7 .0 21,25 ]heptacosa-1(24),2,4,6,17(25),18,20-heptaene-23,27-dione
Molecular Mass 403.434 g·mol−1
Heat of Formation -49.5 ± 16.7 kJ·mol−1
Dipole Moment 8.62 ± 1.08 D
Volume 448.09 Å 3
Surface Area 356.6 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
Synonyms
  • 1
  • c
  • d
InChIKey KBLPHMRCKHFBJB-OLZOCXBDSA-N
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