(5E)-N-Benzyl-13-Chloro-14,16-Dihydroxy-1,11-Dioxo-1,2,3,4,7,8,9,10,11,12-Decahydro-2-Benzazacyclotetradecine-10-Carboxamide

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Properties Simple | Detailed

Formula C25H27ClN2O5
IUPAC Name (4r,8e)-n-benzyl-18-chloro-15,17-dihydroxy-3,13-dioxo-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-4-carboxamide
Molecular Mass 470.945 g·mol−1
Heat of Formation -773.5 ± 16.7 kJ·mol−1
Dipole Moment 7.68 ± 1.08 D
Volume 547.66 Å 3
Surface Area 429.82 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
InChIKey POTAVWZRFSZHOW-XKKXFUJGSA-N
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