6-({(4R)-2-Carboxy-6-[(1R)-1-Hydroxyethyl]-4-Methyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-En-3-Yl}Sulfanyl)-6,7-Dihydro-5H-Pyrazolo[1,2-A][1,2,4]Triazol-4-Ium

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Formula C15H19N4O4S
IUPAC Name (4r,5s,6s)-3-(1,5-diaza-3-azoniabicyclo[3.3.0]octa-2,3-dien-7-ylsulfanyl)-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Molecular Mass 351.401 g·mol−1
Heat of Formation -85.7 ± 16.7 kJ·mol−1
Dipole Moment 16.70 ± 1.08 D
Volume 390.24 Å 3
Surface Area 334.02 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy 0.63 ± eV
Point Group Symmetry C1
InChIKey MRMBZHPJVKCOMA-YKDSUIRESA-N
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