Benzyl 1-({1-[(Acetylsulfanyl)Methyl]-10-Oxo-2-Azecanyl}Carbonyl)-4-Hydroxyprolinate

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Formula C25H34N2O6S
IUPAC Name benzyl (2r,4s)-1-[(2r)-1-(acetylsulfanylmethyl)-10-oxo-azecane-2-carbonyl]-4-hydroxy-pyrrolidine-2-carboxylate
Molecular Mass 490.612 g·mol−1
Heat of Formation -983.9 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 587.69 Å 3
Surface Area 453.65 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
InChIKey QGCMOPHIRPSMLR-FSSWDIPSSA-N
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