5-Chloro-N-[4-Fluoro-1-(2-{[2-Fluoro-4-(2-Oxo-1(2H)-Pyridinyl)Phenyl]Amino}-2-Oxoethyl)-3-Pyrrolidinyl]-2-Thiophenecarboxamide

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Properties Simple | Detailed

Formula C22H19ClF2N4O3S+
IUPAC Name 2-chloro-n-[(1r,3s,4s)-4-fluoro-1-[2-[2-fluoro-4-(2-oxo-1-pyridyl)anilino]-2-oxo-ethyl]pyrrolidin-3-yl]-3h-thiophen-1-ium-3-ide-5-carboxamide
Molecular Mass 492.926 g·mol−1
Heat of Formation -547.2 ± 16.7 kJ·mol−1
Dipole Moment 7.83 ± 1.08 D
Volume 530.16 Å 3
Surface Area 466.59 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 1.62 ± eV
Point Group Symmetry C1
InChIKey SXIYSYYSKHUTQQ-RDJZCZTQSA-N
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