2,4-Dibromoestra-1(10),2,4,6-Tetraene-3,17-Diyl Diacetate

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Properties Simple | Detailed

Formula C22H24Br2O4
IUPAC Name [(8s,9s,13s,14r,17r)-17-acetoxy-2,4-dibromo-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 512.232 g·mol−1
Heat of Formation -667.1 ± 16.7 kJ·mol−1
Dipole Moment 1.03 ± 1.08 D
Volume 491.38 Å 3
Surface Area 400.79 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
InChIKey KLMUHEKLYJFXEB-RKVYYNHOSA-N
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Elements H C O Br