N-[(2R)-3-(3-Cyanophenyl)-1-Oxo-1-(1-Pyrrolidinyl)-2-Propanyl]-8-Fluoro-1,2,3,4-Tetrahydro-6-Isoquinolinesulfonamide

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Formula C23H25FN4O3S
IUPAC Name n-[(1r)-1-[(3-cyanophenyl)methyl]-2-oxo-2-pyrrolidin-1-yl-ethyl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
Molecular Mass 456.533 g·mol−1
Heat of Formation -464.8 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 527.38 Å 3
Surface Area 395.3 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
InChIKey HMBXWXQQVHJMOO-JOCHJYFZSA-N
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