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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Elements |
H
S
C
O
N
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