(2E)-N-[(3S,7S,10S)-3-Isobutyl-7-Methyl-2,5,6,9-Tetraoxo-1,4,8-Triazacyclotridecan-10-Yl]-6-Methyl-2-Octenamide

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Properties Simple | Detailed

Formula C24H40N4O5
IUPAC Name (e,6r)-n-[(3s,7s,10s)-3-isobutyl-7-methyl-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl]-6-methyl-oct-2-enamide
Molecular Mass 464.598 g·mol−1
Heat of Formation -1073.5 ± 16.7 kJ·mol−1
Dipole Moment 0.68 ± 1.08 D
Volume 603.18 Å 3
Surface Area 490.29 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
InChIKey YNIGBMUXBCZRNQ-CGWFXPDQSA-N
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