7-({[4-(2-Amino-1-Carboxy-2-Oxoethylidene)-1,3-Dithietan-2-Yl]Carbonyl}Amino)-7-Methoxy-3-{[(1-Methyl-1H-Tetrazol-5-Yl)Sulfanyl]Methyl}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C17H17N7O8S4
IUPAC Name (6s,7s)-7-[[4-(2-amino-1-carboxy-2-oxo-ethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyl-3,4-diaza-1-azonia-2-azanidacyclopenta-3,5-dien-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 575.619 g·mol−1
Heat of Formation -676.7 ± 16.7 kJ·mol−1
Dipole Moment 6.92 ± 1.08 D
Volume 584.93 Å 3
Surface Area 496.71 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
InChIKey SRZNHPXWXCNNDU-DDIWTDQOSA-N
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