(2E)-3-(9,11-Dihydroxy-8-Methyl-5-Oxo-5,10,11,11A-Tetrahydro-3H-Pyrrolo[2,1-C][1,4]Benzodiazepin-2-Yl)-N-Methylacrylamide
Properties
| Property | Value |
|---|---|
| Formula | C17H19N3O4 |
| IUPAC Name | (e)-3-[(6r,6as)-4,6-dihydroxy-3-methyl-11-oxo-5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-n-methyl-prop-2-enamide |
| Molecular Mass | 329.350 g·mol−1 |
| Heat of Formation | -485.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.06 ± 1.08 D |
| Volume | 376.33 Å 3 |
| Surface Area | 340.32 Å 2 |
| HOMO Energy | -8.62 ± 0.55 eV |
| LUMO Energy | -0.88 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VMOHRPRQENZZPX-PCFSSPOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |