(5R,6S)-3-({(3S)-1-[(1E)-Ethanimidoyl]-3-Pyrrolidinyl}Sulfanyl)-6-[(1R)-1-Hydroxyethyl]-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C15H21N3O4S
IUPAC Name (5r,6s)-3-[(3s)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-6-[(1r)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 339.410 g·mol−1
Heat of Formation -487.9 ± 16.7 kJ·mol−1
Dipole Moment 1.75 ± 1.08 D
Volume 399.59 Å 3
Surface Area 334.61 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
InChIKey TYMABNNERDVXID-WFOJHZDZSA-N
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