(17β)-17-Hydroxyestra-1,3,5(10)-Trien-3-Yl 2-Iodobenzoate

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Formula C25H27IO3
IUPAC Name [(8r,9r,13s,14r,17r)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 2-iodobenzoate
Molecular Mass 502.385 g·mol−1
Heat of Formation -366.4 ± 16.7 kJ·mol−1
Dipole Moment 2.70 ± 1.08 D
Volume 495.22 Å 3
Surface Area 403.43 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
InChIKey PDYZTYQFBVSZTJ-XDWVRFNASA-N
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