(2S,11As)-2,8-Dihydroxy-7-Methoxy-1,2,3,11A-Tetrahydro-5H-Pyrrolo[2,1-C][1,4]Benzodiazepin-5-One

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Properties Simple | Detailed

Formula C13H14N2O4
IUPAC Name (6as,8s)-3,8-dihydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Molecular Mass 262.261 g·mol−1
Heat of Formation -485.7 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 292.07 Å 3
Surface Area 267.03 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (6as,8s)-3,8-dihydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
  • 5h-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,11a-tetrahydro-2,8-dihydroxy-7-methoxy-, (2s-trans)-
  • chicamycin b
CAS Number(s)
  • 89675-39-8
InChIKey JEWCIEJYMIAHBW-YUMQZZPRSA-N
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