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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Elements |
H
S
C
O
N
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