(9R,14As)-9-Benzyl-5-Hydroxy-6-Methyl-3-(7-Oxo-2-Octanyl)Decahydro-1H-Pyrrolo[2,1-C][1,4,7]Oxadiazacyclododecine-1,7,10-Trione

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Properties Simple | Detailed

Formula C28H40N2O6
IUPAC Name 3-benzyl-7-hydroxy-6-methyl-9-(1-methyl-6-oxo-heptyl)-10-oxa-1,4-diazabicyclo[10.3.0]pentadecane-2,5,11-trione
Molecular Mass 500.627 g·mol−1
Heat of Formation -1176.6 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 630.49 Å 3
Surface Area 459.64 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 3.14 ± eV
Point Group Symmetry C1
InChIKey AOQQOEQINNPMNK-MWXQHUHWSA-N
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