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

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Properties Simple | Detailed

Formula C22H24Br2O4
IUPAC Name [(8r,9s,13s,14s,17s)-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 -653.5 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 489.99 Å 3
Surface Area 401.85 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
InChIKey KLMUHEKLYJFXEB-MFQVCDOASA-N
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Elements H C O Br