Mk-2048

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Formula C21H21ClFN5O4
IUPAC Name (13s)-5-[(3-chloro-4-fluoro-phenyl)methyl]-11-ethyl-8-hydroxy-n,13-dimethyl-6,10-dioxo-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-3-carboxamide
Molecular Mass 461.874 g·mol−1
Heat of Formation -597.9 ± 16.7 kJ·mol−1
Dipole Moment 7.73 ± 1.08 D
Volume 501.07 Å 3
Surface Area 424.58 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry C1
InChIKey JSRREMIKIHJGAA-JTQLQIEISA-N
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