Ethyl {1-[(3R)-3-({2-Fluoro-4-[(Z)-Imino(1,3-Thiazolidin-3-Yl)Methyl]Benzoyl}Amino)-2,2-Dimethylpentanoyl]-4-Piperidinyl}Acetate

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Formula C27H39FN4O4S
IUPAC Name ethyl 2-[1-[(3r)-3-[[2-fluoro-4-(thiazolidine-3-carboximidoyl)benzoyl]amino]-2,2-dimethyl-pentanoyl]-4-piperidyl]acetate
Molecular Mass 534.686 g·mol−1
Heat of Formation -877.2 ± 16.7 kJ·mol−1
Dipole Moment 5.83 ± 1.08 D
Volume 652.22 Å 3
Surface Area 533.91 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry C1
InChIKey XEMTYGFOVBXDLG-GIAQSNRWSA-N
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