Formula |
C27H36N2O4 |
IUPAC Name |
(2s)-2-[4-[2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl]phenoxy]-2-methyl-butanoic acid |
Molecular Mass |
452.586 g·mol−1 |
Heat of Formation |
-607.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.95 ± 1.08 D |
Volume |
581.52 Å 3 |
Surface Area |
459.52 Å 2 |
HOMO Energy |
-8.59 ± 0.55 eV |
LUMO Energy |
2.74 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[4-[2-(1,3-benzoxazol-2-yl-heptyl-amino)ethyl]phenoxy]-2-methyl-butanoic acid
- (2s)-2-[4-[2-(1,3-benzoxazol-2-yl-heptyl-amino)ethyl]phenoxy]-2-methyl-butyric acid
- (2s)-2-[4-[2-(1,3-benzoxazol-2-yl-heptylamino)ethyl]phenoxy]-2-methylbutanoic acid
- drh
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InChIKey |
QPKIEBNVIOELIR-MHZLTWQESA-N |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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