(6S,7S)-3-(1-Methyl-5-Nitro-1H-Imidazol-2-Yl)-3A,4,5,6,7,7A-Hexahydro-1,2-Benzoxazole-6,7-Diol
Properties
Property | Value |
---|---|
Formula | C11H14N4O5 |
IUPAC Name | (3as,6s,7r,7ar)-3-(1-methyl-5-nitro-imidazol-3-ium-5-id-2-yl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole-6,7-diol |
Molecular Mass | 282.253 g·mol−1 |
Heat of Formation | -253.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.00 ± 1.08 D |
Volume | 304.2 Å 3 |
Surface Area | 273.49 Å 2 |
HOMO Energy | -9.75 ± 0.55 eV |
LUMO Energy | -1.81 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZAYDDXBAZPKGDR-HAYUDISJSA-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 |