17-Oxoestra-1,3,5(10)-Trien-3-Yl Bromo(2-~14~C)Acetate

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Formula C20H23BrO3
IUPAC Name [(8r,9s,13s,14s)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] 2-bromoacetate
Molecular Mass 391.299 g·mol−1
Heat of Formation -507.2 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 416.13 Å 3
Surface Area 352.97 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 2.80 ± eV
Point Group Symmetry C1
InChIKey FSFWWKULPXXGBH-WWNBULGVSA-N
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Elements H C O Br