(1S,5Z,7Z)-1,25-Dihydroxy-9,10-Secocholesta-5,7,10-Trien-3-Yl N-(4-Azido-2-Nitrophenyl)Glycinate

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Formula C35H50N5O6
IUPAC Name [(1s,3z,5s)-3-[(2z)-2-[(1r,3as,7ar)-1-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylene-cyclohexyl] 2-(4-azido-2-nitro-anilino)acetate
Molecular Mass 636.801 g·mol−1
Heat of Formation -475.3 ± 16.7 kJ·mol−1
Dipole Moment 8.20 ± 1.08 D
Volume 795.02 Å 3
Surface Area 616.98 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.61 ± eV
Point Group Symmetry C1
InChIKey ODNIJOYMFWOCIT-SWXZBLPUSA-N
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