(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 |