6-(2,4-Difluorophenoxy)-8-Methyl-2-{[(2S)-1-(2H-Tetrazol-2-Yl)-2-Propanyl]Amino}Pyrido[2,3-D]Pyrimidin-7(8H)-One

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Properties Simple | Detailed

Formula C18H16F2N8O2+
IUPAC Name 2-[[(1s)-2-(3,4-diaza-2-azonia-1-azanidacyclopenta-2,4-dien-2-yl)-1-methyl-ethyl]amino]-6-(2,4-difluorophenoxy)-8-methyl-pyrido[2,3-d]pyrimidin-8-ium-6-ylium-7-one
Molecular Mass 414.369 g·mol−1
Heat of Formation -74.2 ± 16.7 kJ·mol−1
Dipole Moment 8.35 ± 1.08 D
Volume 453.07 Å 3
Surface Area 386.91 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
InChIKey WIGNNIARPGHXFO-JTQLQIEISA-N
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