(2E,11As)-2-Ethylidene-8-Hydroxy-7-Methoxy-2,3-Dihydro-1H-Pyrrolo[2,1-C][1,4]Benzodiazepine-5,11(10H,11Ah)-Dione

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Properties Simple | Detailed

Formula C15H16N2O4
IUPAC Name (6as,8e)-8-ethylidene-3-hydroxy-2-methoxy-5,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Molecular Mass 288.299 g·mol−1
Heat of Formation -521.1 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 327.33 Å 3
Surface Area 296.79 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (6as,8e)-8-ethylidene-3-hydroxy-2-methoxy-5,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
  • (6as,8e)-8-ethylidene-3-hydroxy-2-methoxy-5,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-quinone
  • 1h-pyrrolo(2,1-c)(1,4)benzodiazepine-5,11(10h,11ah)-dione, 2-ethylidene-2,3-dihydro-8-hydroxy-7-methoxy-, (s)-
  • 1h-pyrrolo(2,1-c)(1,4)benzodiazepine-5,11(10h,11ah)-dione, 2-ethylidene-2,3-dihydro-8-hydroxy-7-methoxy-, (s-(e))-
  • oxo-tomaymycin
  • oxotomaymycin
CAS Number(s)
  • 35050-54-5
InChIKey KXUMNEWSLYWWIA-AEBAWRHJSA-N
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