(3S)-3-({(5R,6S)-2-Carboxy-6-[(1R)-1-Hydroxyethyl]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Hept-2-En-3-Yl}Sulfanyl)Tetrahydro-1-Thiopheniumolate

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Properties Simple | Detailed

Formula C12H15NO5S3
IUPAC Name (5r,6s)-6-[(1r)-1-hydroxyethyl]-7-oxo-3-[(1s,3s)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 349.446 g·mol−1
Heat of Formation -656.5 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 372.8 Å 3
Surface Area 319.66 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
InChIKey FLSUCZWOEMTFAQ-ISTDQQOASA-N
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