(4S,4A'R,10A'S)-2-Amino-8'-(2-Fluoro-3-Pyridinyl)-1,4A'-Dimethyl-3',4',4A',10A'-Tetrahydro-2'H-Spiro[Imidazole-4,10'-Pyrano[3,2-B]Chromen]-5(1H)-One

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Properties Simple | Detailed

Formula C21H21FN4O3
IUPAC Name (4ar,10s,10as)-2'-amino-8-(2-fluoro-3-pyridyl)-3',4a-dimethyl-spiro[2,3,4,10a-tetrahydropyrano[3,2-b]chromene-10,5'-imidazole]-4'-one
Molecular Mass 396.415 g·mol−1
Heat of Formation -368.3 ± 16.7 kJ·mol−1
Dipole Moment 5.06 ± 1.08 D
Volume 446.52 Å 3
Surface Area 369.8 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
InChIKey RYCBSDWTFORSET-UIFIKXQLSA-N
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