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

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Properties Simple | Detailed

Formula C25H36INO4
IUPAC Name (e)-7-[(1r,2s,3s,5s)-3-[[(2s)-2-hydroxy-3-(4-hydroxy-3-iodo-phenyl)propyl]amino]-6,6-dimethyl-norpinan-2-yl]hept-5-enoic acid
Molecular Mass 541.462 g·mol−1
Heat of Formation -641.0 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 586.6 Å 3
Surface Area 473.3 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
InChIKey RCPAWLXQBMAVGJ-AIVWSCLSSA-N
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