Formula |
C17H16BrFN6O4 |
IUPAC Name |
2-[5-[3-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid |
Molecular Mass |
467.249 g·mol−1 |
Heat of Formation |
-158.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.33 ± 1.08 D |
Volume |
455.95 Å 3 |
Surface Area |
403.1 Å 2 |
HOMO Energy |
-9.18 ± 0.55 eV |
LUMO Energy |
-1.19 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UJEAABFSXKCSGI-UHFFFAOYSA-N |
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Links |
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Elements |
C
F
H
O
N
Br
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