3-[(2R)-2,3-Dihydroxypropyl]-6-Fluoro-5-[(2-Fluoro-4-Iodophenyl)Amino]-8-Methylpyrido[2,3-D]Pyrimidine-4,7(3H,8H)-Dione

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Properties Simple | Detailed

Formula C17H16F2IN4O4
IUPAC Name 3-[(2r)-2,3-dihydroxypropyl]-6-fluoro-5-(2-fluoro-4-iodo-anilino)-8-methyl-pyrido[2,3-d]pyrimidin-1-ium-4a-ide-4,7-dione
Molecular Mass 505.235 g·mol−1
Heat of Formation -778.1 ± 16.7 kJ·mol−1
Dipole Moment 8.84 ± 1.08 D
Volume 446.11 Å 3
Surface Area 388.67 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
InChIKey RCLQNICOARASSR-SECBINFHSA-N
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