7-Ethyl-N-[(2S,3R)-3-Hydroxy-1-Phenyl-4-{[3-(Trifluoromethyl)Benzyl]Amino}-2-Butanyl]-1-Methyl-3,4-Dihydro-1H-[1,2,5]Thiadiazepino[3,4,5-Hi]Indole-9-Carboxamide 2,2-Dioxide

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Formula C32H35F3N4O4S
IUPAC Name n-[(1s,2r)-1-benzyl-2-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-3-ethyl-9-methyl-10,10-dioxo-10λ6-thia-1,9-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide
Molecular Mass 628.705 g·mol−1
Heat of Formation -1097.9 ± 16.7 kJ·mol−1
Dipole Moment 9.28 ± 1.08 D
Volume 701.9 Å 3
Surface Area 519.51 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
InChIKey MSHYGGHZTGSTOG-LMSSTIIKSA-N
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