3-Chloro-2-Hydroxy-N-[(1R,2S,6R)-2-Hydroxy-6-(Hydroxymethyl)-5-Oxo-7-Oxabicyclo[4.1.0]Hept-3-En-3-Yl]Benzamide
Properties
Property | Value |
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Formula | C14H12ClNO6 |
IUPAC Name | 3-chloro-2-hydroxy-n-[(1r,2s,6r)-2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide |
Molecular Mass | 325.701 g·mol−1 |
Heat of Formation | -781.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.73 ± 1.08 D |
Volume | 336.4 Å 3 |
Surface Area | 304.58 Å 2 |
HOMO Energy | -9.75 ± 0.55 eV |
LUMO Energy | -1.37 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | CQWDZNQKJPNNJB-SCRDCRAPSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O Cl |