7-[(5-Amino-5-Carboxypentanoyl)Amino]-3-Hydroxy-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Octane-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C14H21N3O7S
IUPAC Name (2r,3r,6r,7r)-7-[[(5s)-5-amino-5-carboxy-pentanoyl]amino]-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid
Molecular Mass 375.397 g·mol−1
Heat of Formation -1227.6 ± 16.7 kJ·mol−1
Dipole Moment 6.40 ± 1.08 D
Volume 418.72 Å 3
Surface Area 362.42 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
InChIKey POTUNBCUZGHTHK-QKSXHDDGSA-N
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