(2E)-3-[(11R,11As)-9,11-Dihydroxy-8-Methyl-5-Oxo-5,10,11,11A-Tetrahydro-1H-Pyrrolo[2,1-C][1,4]Benzodiazepin-2-Yl]Acrylamide

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Properties Simple | Detailed

Formula C16H17N3O4
IUPAC Name (e)-3-[(6r,6as)-4,6-dihydroxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide
Molecular Mass 315.324 g·mol−1
Heat of Formation -512.8 ± 16.7 kJ·mol−1
Dipole Moment 8.32 ± 1.08 D
Volume 355.86 Å 3
Surface Area 320.72 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey VGQOVCHZGQWAOI-YQRHFANHSA-N
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