N-[(2S)-3,3-Dihydroxy-1-Phenyl-4-(Tetrahydro-2H-Pyran-4-Ylamino)-2-Butanyl]-6-Ethyl-1-Methyl-1,3,4,6-Tetrahydro[1,2]Thiazepino[5,4,3-Cd]Indole-8-Carboxamide 2,2-Dioxide

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Formula C29H38N4O6S
IUPAC Name n-[(1s)-1-benzyl-2,2-dihydroxy-3-(tetrahydropyran-4-ylamino)propyl]-3-ethyl-9-methyl-10,10-dioxo-10λ6-thia-3,9-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-6-carboxamide
Molecular Mass 570.700 g·mol−1
Heat of Formation -920.8 ± 16.7 kJ·mol−1
Dipole Moment 5.78 ± 1.08 D
Volume 670.24 Å 3
Surface Area 526.55 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
InChIKey LMEDJLLRHRUTJN-SANMLTNESA-N
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