5-(2-Fluorophenyl)-3-Hydroxy-1-Methyl-7-Nitro-1,3-Dihydro-2H-1,4-Benzodiazepin-2-One
Properties
Property | Value |
---|---|
Formula | C16H12FN3O4 |
IUPAC Name | (3s)-5-(2-fluorophenyl)-3-hydroxy-1-methyl-7-nitro-3h-1,4-benzodiazepin-2-one |
Molecular Mass | 329.283 g·mol−1 |
Heat of Formation | 1911.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.95 ± 1.08 D |
Volume | 326.02 Å 3 |
Surface Area | 292.35 Å 2 |
HOMO Energy | -10.16 ± 0.55 eV |
LUMO Energy | -0.90 ± eV |
Point Group Symmetry | C1 |
InChIKey | KJTUBZKMFRILQD-HNNXBMFYSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C N O F |