1-[(2S,4S,17R,18R,19S,21R,37Z)-19-Hydroxy-5,15,22,32-Tetraazanonacyclo[18.10.10.0~1,21~.0~2,18~.0~5,17~.0~8,16~.0~9,14~.0~20,32~.0~22,30~]Tetraconta-8(16),9,11,13,37-Pentaen-4-Yl]Acetone

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Formula C39H54N4O2
IUPAC Name (37z)-19-hydroxy-4-(2-oxopropyl)-15-aza-5,22,32-triazonianonacyclo[18.10.10.0 1,21 .0 2,18 .0 5,17 .0 8,16 .0 9,14 .0 20,32 .0 22,30 ]tetraconta-8(16),9,11,13,37-pentaene
Molecular Mass 610.872 g·mol−1
Heat of Formation -82.9 ± 16.7 kJ·mol−1
Dipole Moment 6.79 ± 1.08 D
Volume 758.08 Å 3
Surface Area 555.49 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy 3.25 ± eV
Point Group Symmetry C1
InChIKey MNAYPFPXJFJFQO-MEJCHHIPSA-N
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