(2S)-[4-(8-Fluoro-5-Methyl-3,4-Dihydro-2H-Chromen-6-Yl)-2-Methyl-1-Oxo-1,2-Dihydro-3-Isoquinolinyl][(2-Methyl-2-Propanyl)Oxy]Acetic Acid

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Properties Simple | Detailed

Formula C26H28FNO5
IUPAC Name (2s)-2-tert-butoxy-2-[4-(8-fluoro-5-methyl-chroman-6-yl)-2-methyl-1-oxo-3-isoquinolyl]acetic acid
Molecular Mass 453.503 g·mol−1
Heat of Formation -1011.4 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 527.75 Å 3
Surface Area 407.02 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
InChIKey LDALHHGVIZRJPA-QHCPKHFHSA-N
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