3-[[(Z)-[1-(2-Amino-5H-Thiazol-3-Ium-5-Id-4-Yl)-2-[[(2S,3R)-2-Methyl-4-Oxo-1-Sulfo-Azetidin-3-Yl]Amino]-2-Oxo-Ethylidene]Amino]Oxymethyl]-6,7-Dioxo-5,8-Dihydroquinoxaline-1,4-Diium-5,8-Diide-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C19H22N7O10S2++
IUPAC Name 3-[[(z)-[1-(2-amino-5h-thiazol-3-ium-5-id-4-yl)-2-[[(2s,3r)-2-methyl-4-oxo-1-sulfo-azetidin-3-yl]amino]-2-oxo-ethylidene]amino]oxymethyl]-6,7-dioxo-5,8-dihydroquinoxaline-1,4-diium-5,8-diide-2-carboxylic acid
Molecular Mass 572.549 g·mol−1
Heat of Formation -1027.9 ± 16.7 kJ·mol−1
Dipole Moment 9.96 ± 1.08 D
Volume 582.68 Å 3
Surface Area 442.85 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.79 ± eV
Point Group Symmetry C1
InChIKey ZNTAJNQRDMLMJG-ZOUYLLLXSA-P
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