2-Fluoro-N,N-Dimethyl-4-{(5R)-5-[2-Methyl-1-Oxo-1-(1,3,4-Thiadiazol-2-Ylamino)-2-Propanyl]-5H-Chromeno[2,3-B]Pyridin-2-Yl}Benzamide

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Properties Simple | Detailed

Formula C27H25FN5O3S
IUPAC Name 4-[(5r)-5-[1,1-dimethyl-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3,5-dihydrochromeno[2,3-b]pyridin-1-ium-3-id-2-yl]-2-fluoro-n,n-dimethyl-benzamide
Molecular Mass 518.583 g·mol−1
Heat of Formation -164.9 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 584.13 Å 3
Surface Area 473.9 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
InChIKey NFBRIOXZUUCQFQ-JOCHJYFZSA-N
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