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

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Properties Simple | Detailed

Formula C29H40N2O3
IUPAC Name 1-[6-[[(8r,9r,13s,14r,17s)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]pyrrole-2,5-dione
Molecular Mass 464.640 g·mol−1
Heat of Formation -473.6 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 598.55 Å 3
Surface Area 500.92 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
InChIKey LUFAORPFSVMJIW-VVAPRYPQSA-N
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