Formula |
C28H25BF2N2O6S |
IUPAC Name |
5-cyclopropyl-6-[(7-fluoro-1-hydroxy-3h-2,1-benzoxaborol-5-yl)methyl-methylsulfonyl-amino]-2-(4-fluorophenyl)-n-methyl-benzofuran-3-carboxamide |
Molecular Mass |
566.381 g·mol−1 |
Heat of Formation |
-1227.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.57 ± 1.08 D |
Volume |
620.3 Å 3 |
Surface Area |
505.56 Å 2 |
HOMO Energy |
-9.06 ± 0.55 eV |
LUMO Energy |
1.87 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
BYQYZNOLMVIJLY-UHFFFAOYSA-N |
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Elements |
C
B
F
H
O
N
S
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