Emend
Properties
Property | Value |
---|---|
Formula | C23H21F7N4O3 |
IUPAC Name | 5-[[(2r,3s,4s)-2-[(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one |
Molecular Mass | 534.427 g·mol−1 |
Heat of Formation | -1662.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.44 ± 1.08 D |
Volume | 564.21 Å 3 |
Surface Area | 419.89 Å 2 |
HOMO Energy | -9.76 ± 0.55 eV |
LUMO Energy | -1.42 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | ATALOFNDEOCMKK-OITMNORJSA-N |
QR Code | Generate QR Code |
Links | PubChem Wikipedia ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |