(3S,6S,9S,14As)-3,6-Dimethyl-9-[6-(2-Oxiranyl)-6-Oxohexyl]Decahydropyrrolo[1,2-A][1,4,7,10]Tetraazacyclododecine-1,4,7,10-Tetrone

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Formula C21H32N4O6
IUPAC Name (3s,6s,9s,12r)-6,9-dimethyl-3-[6-[(2s)-oxiran-2-yl]-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Molecular Mass 436.502 g·mol−1
Heat of Formation -1041.2 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 527.18 Å 3
Surface Area 428.49 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 0.31 ± eV
Point Group Symmetry C1
InChIKey GNYCTMYOHGBSBI-JGFGOLAASA-N
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