Faldaprevir

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Formula C40H49BrN6O9S
IUPAC Name (1r,2s)-1-[[(2s,4r)-4-[[8-bromo-7-methoxy-2-[2-(2-methylpropanoylamino)thiazol-4-yl]-4-quinolyl]oxy]-1-[(2s)-2-(cyclopentoxycarbonylamino)-3,3-dimethyl-butanoyl]pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid
Molecular Mass 869.821 g·mol−1
Heat of Formation -1252.7 ± 16.7 kJ·mol−1
Dipole Moment 6.79 ± 1.08 D
Volume 966.95 Å 3
Surface Area 738.47 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
InChIKey LLGDPTDZOVKFDU-XUHJSTDZSA-N
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Elements C H O N S Br