Formula |
C28H34FN3O6 |
IUPAC Name |
(3r,5r)-7-[2-(4-fluorophenyl)-4-[[(1s)-2-hydroxy-1-phenyl-ethyl]carbamoyl]-5-isopropyl-imidazol-1-ium-2-ylium-1-yl]-3,5-dihydroxy-heptanoic acid |
Molecular Mass |
527.585 g·mol−1 |
Heat of Formation |
-1173.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.85 ± 1.08 D |
Volume |
630.05 Å 3 |
Surface Area |
532.83 Å 2 |
HOMO Energy |
-9.00 ± 0.55 eV |
LUMO Energy |
-0.43 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YBLASZBVZVCRFU-DNVJHFABSA-N |
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Elements |
H
C
F
O
N
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