(4R,5S,6S)-3-(6,7-Dihydro-5H-Pyrazolo[1,2-A][1,2,4]Triazol-4-Ium-6-Ylsulfanyl)-6-(1-Hydroxyethyl)-4-Methyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylate

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Formula C15H18N4O4S
IUPAC Name (4r,5s,6s)-3-[[(6r)-6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-6-[(1s)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Molecular Mass 350.393 g·mol−1
Heat of Formation -182.8 ± 16.7 kJ·mol−1
Dipole Moment 6.57 ± 1.08 D
Volume 392.93 Å 3
Surface Area 310.53 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
InChIKey MRMBZHPJVKCOMA-JZSSXWJLSA-N
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