(6R)-6-[(1R,3As,4E,7Ar)-4-[(2Z)-2-[(5S)-5-[3-(4-Azido-2-Nitro-Anilino)Propoxy]-2-Methylene-Cyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]-2-Methyl-Heptan-2-Ol

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Formula C36H54N5O4
IUPAC Name (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-[3-(4-azido-2-nitro-anilino)propoxy]-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methyl-heptan-2-ol
Molecular Mass 620.845 g·mol−1
Heat of Formation -154.1 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 824.65 Å 3
Surface Area 616.66 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
InChIKey ZNZOAJDDBOOXHO-PBPRMMDVSA-N
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