Estra-4,9(11)-Diene-3,17-Dione, 10-(2-(Methylthio)Ethyl)-

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Formula C21H28O2S
IUPAC Name (8r,10s,13s,14r)-13-methyl-10-(2-methylsulfanylethyl)-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 344.511 g·mol−1
Heat of Formation -363.8 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 432.52 Å 3
Surface Area 335.49 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.80 ± eV
Point Group Symmetry C1
InChIKey JKOMPAPOBLVXKS-JYWFKMLOSA-N
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