(5R)-5-Ethyl-9,10-Difluoro-5-Hydroxy-1,4,5,13-Tetrahydro-3H,15H-Oxepino[3',4':6,7]Indolizino[1,2-B]Quinoline-3,15-Dione

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Properties Simple | Detailed

Formula C21H16F2N2O4
IUPAC Name diflomotecan
Molecular Mass 398.360 g·mol−1
Heat of Formation -759.2 ± 16.7 kJ·mol−1
Dipole Moment 5.77 ± 1.08 D
Volume 427.15 Å 3
Surface Area 362.47 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.88 ± eV
Point Group Symmetry C1
Synonyms
  • 3h,15h-oxepino(3',4':6,7)indolizino(1,2-b)quinoline-3,15-dione, 5-ethyl-9,10-difluoro-1,4,5,13-tetrahydro-5-hydroxy-, (5r)-
  • bn 80915
  • bn-80915
CAS Number(s)
  • 220997-97-7
InChIKey LFQCJSBXBZRMTN-OAQYLSRUSA-N
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