Sjg-136

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Properties Simple | Detailed

Formula C31H32N4O6
IUPAC Name (6as)-3-[3-[[(6as)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6ah-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-methylidene-7,9-dihydro-6ah-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
Molecular Mass 556.609 g·mol−1
Heat of Formation -419.1 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 643.02 Å 3
Surface Area 567.61 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C2
Synonyms
  • (6as)-3-[3-[[(6as)-11-keto-2-methoxy-8-methylene-7,9-dihydro-6ah-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-methylene-7,9-dihydro-6ah-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
  • (6as)-3-[3-[[(6as)-2-methoxy-8-methylene-11-oxo-7,9-dihydro-6ah-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-methylene-7,9-dihydro-6ah-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
  • 5h-pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 8,8'-[1,3-propanediylbis(oxy)]bis[1,2,3,11a-tetrahydro- 7-methoxy-2-methylene-, (11as, 11'as)-
  • sjg 136
  • up 2001
InChIKey RWZVMMQNDHPRQD-SFTDATJTSA-N
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