1-(6-{[3-Methoxyestra-1,3,5(10)-Trien-17-Yl]Amino}Hexyl)-2,5-Pyrrolidinedione

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Properties Simple | Detailed

Formula C29H42N2O3
IUPAC Name 1-[6-[[(8s,9r,13r,14r,17r)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]pyrrolidine-2,5-dione
Molecular Mass 466.655 g·mol−1
Heat of Formation -637.4 ± 16.7 kJ·mol−1
Dipole Moment 2.36 ± 1.08 D
Volume 600.2 Å 3
Surface Area 512.63 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 3.22 ± eV
Point Group Symmetry C1
InChIKey CJHWFIUASFBCKN-GRDIGNMCSA-N
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