(6R,7R)-3-[[(1R,2R)-3-Amino-4-(2-Aminoethylcarbamoylamino)-2-Methyl-Pyrazol-3-Id-1-Yl]Methyl]-7-[[(2E)-2-(5-Amino-Blahcyclopenta-2,3,4-Trien-3-Yl)-2-(1-Carboxy-1-Methyl-Ethoxy)Imino-Acetyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate

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Formula C23H32N12O8S2
IUPAC Name (6r,7r)-3-[[(1r,2r)-3-amino-4-(2-aminoethylcarbamoylamino)-2-methyl-pyrazol-3-id-1-yl]methyl]-7-[[(2e)-2-(5-amino-blahcyclopenta-2,3,4-trien-3-yl)-2-(1-carboxy-1-methyl-ethoxy)imino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Mass 668.706 g·mol−1
Heat of Formation -459.9 ± 16.7 kJ·mol−1
Dipole Moment 22.88 ± 1.08 D
Volume 749.43 Å 3
Surface Area 563.62 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
InChIKey WVUZHMNSCWUPHV-CUAFRCRKSA-N
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