7-[(5-Carboxy-5-Hydroxypentanoyl)Amino]-3-(Hydroxymethyl)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C14H18N2O8S
IUPAC Name (6r,7r)-7-[[(5s)-5-carboxy-5-hydroxy-pentanoyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 374.366 g·mol−1
Heat of Formation -1313.6 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 405.72 Å 3
Surface Area 364.61 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
InChIKey ZUIQRUZRRLGKCT-LPBBDHJYSA-N
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