(E)-7-[(1S,2R,3R,5R)-3-[[(2R)-3-(4-Azido-3-Iodo-Phenyl)-2-Hydroxy-Propyl]Amino]-6,6-Dimethyl-Norpinan-2-Yl]Hept-5-Enoic Acid

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Properties Simple | Detailed

Formula C25H35IN4O3
IUPAC Name (e)-7-[(1s,2r,3r,5r)-3-[[(2r)-3-(4-azido-3-iodo-phenyl)-2-hydroxy-propyl]amino]-6,6-dimethyl-norpinan-2-yl]hept-5-enoic acid
Molecular Mass 566.475 g·mol−1
Heat of Formation -181.4 ± 16.7 kJ·mol−1
Dipole Moment 6.50 ± 1.08 D
Volume 607.36 Å 3
Surface Area 437.09 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
InChIKey GJUIIJRYUXPPOQ-GLCZKDFGSA-N
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