(2S,3R,4R,5S,6S)-6-[(1R)-1-Hydroxyethyl]-4-Methyl-7-Oxo-3-{[1-(1,3-Thiazol-2-Yl)-3-Azetidinyl]Sulfanyl}-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid

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Formula C16H21N3O4S2
IUPAC Name (2s,3r,4r,5s,6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-3-(1-thiazol-2-ylazetidin-3-yl)sulfanyl-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 383.486 g·mol−1
Heat of Formation -395.2 ± 16.7 kJ·mol−1
Dipole Moment 5.38 ± 1.08 D
Volume 439.93 Å 3
Surface Area 373.16 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
InChIKey YKLAKHLDAXNBOF-IOJHDDLYSA-N
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