(5E)-7-(3-{[3-(4-Azido-3-Iodophenyl)-2-Hydroxypropyl]Amino}-6,6-Dimethylbicyclo[3.1.1]Hept-2-Yl)-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C25H36IN4O3
IUPAC Name (e)-7-[(1r,2s,3s,5s)-3-[[(2r)-3-(4-azido-3-iodo-phenyl)-2-hydroxy-propyl]amino]-6,6-dimethyl-norpinan-2-yl]hept-5-enoic acid
Molecular Mass 567.483 g·mol−1
Heat of Formation -139.8 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 612.06 Å 3
Surface Area 522.33 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey YRLMUHINPXAYAG-GLCZKDFGSA-N
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