Mollamide B

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Formula C36H52N6O6S
IUPAC Name (2s,5s,8s,14s,17s,20r)-14-benzyl-5-[(1r)-1-(1,1-dimethylallyloxy)ethyl]-2,17-diisopropyl-22-thia-3,6,12,15,18,23-hexazatricyclo[18.2.1.08,12]tricos-1(23)-ene-4,7,13,16,19-pentone
Molecular Mass 696.900 g·mol−1
Heat of Formation -1083.3 ± 16.7 kJ·mol−1
Dipole Moment 10.45 ± 1.08 D
Volume 874.17 Å 3
Surface Area 596.76 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey DXCFOKOBTQHBHK-GBUGJBKCSA-N
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