(5E)-13-Chloro-10-[Ethoxy(Hydroxy)Methyl]-14,16-Dihydroxy-3,4,7,8,9,10-Hexahydro-2-Benzazacyclotetradecine-1,11(2H,12H)-Dione

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Properties Simple | Detailed

Formula C20H26ClNO6
IUPAC Name (4r,8e)-18-chloro-4-[(r)-ethoxy(hydroxy)methyl]-15,17-dihydroxy-12-azabicyclo[12.4.0]octadeca-1(14),8,15,17-tetraene-3,13-dione
Molecular Mass 411.877 g·mol−1
Heat of Formation -1133.0 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 472.14 Å 3
Surface Area 367.81 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
InChIKey YLRTXPICDJPGMD-CVRKFZKPSA-N
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