N-[(3S,4S)-6-Acetyl-3-Hydroxy-2,2-Dimethyl-3,4-Dihydro-2H-Chromen-4-Yl]-3-Chloro-4-Fluorobenzamide
Properties
Property | Value |
---|---|
Formula | C20H19ClFNO4 |
IUPAC Name | n-[(3s,4s)-6-acetyl-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-chloro-4-fluoro-benzamide |
Molecular Mass | 391.821 g·mol−1 |
Heat of Formation | -808.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.04 ± 1.08 D |
Volume | 436.47 Å 3 |
Surface Area | 378.34 Å 2 |
HOMO Energy | -9.49 ± 0.55 eV |
LUMO Energy | -0.85 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | XLIIRNOPGJTBJD-ROUUACIJSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H Cl O N |