N-[(5R,6S,7S,9S)-6-Methoxy-5-Methyl-14-Oxo-6,7,8,9,15,16-Hexahydro-5H,14H-5,9-Epoxy-4B,9A,15-Triazadibenzo[B,H]Cyclonona[1,2,3,4-Jkl]Cyclopenta[E]-As-Indacen-7-Yl]-N-Methylbenzamide

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Properties Simple | Detailed

Formula C35H30N4O4
IUPAC Name n-[(2s,3s,4r,6r)-16-hydroxy-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1 2,6 .0 7,28 .0 8,13 .0 15,19 .0 20,27 .0 21,26 ]nonacosa-8,10,12,14,16,19,21,23,25,27-decaen-4-yl]-n-methylbenzamide
Molecular Mass 570.637 g·mol−1
Heat of Formation -151.3 ± 16.7 kJ·mol−1
Dipole Moment 10.09 ± 1.08 D
Volume 646.62 Å 3
Surface Area 500.63 Å 2
HOMO Energy -7.74 ± 0.55 eV
LUMO Energy 2.41 ± eV
Point Group Symmetry C1
InChIKey BMGQWWVMWDBQGC-UBYAZLFGSA-N
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