Formula |
C11H16N2O4S |
IUPAC Name |
(2r,5r,6r)-3-(2-aminoethylsulfanyl)-6-[(1r)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylic acid |
Molecular Mass |
272.321 g·mol−1 |
Heat of Formation |
-535.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.21 ± 1.08 D |
Volume |
311.14 Å 3 |
Surface Area |
281.08 Å 2 |
HOMO Energy |
-8.98 ± 0.55 eV |
LUMO Energy |
-0.74 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DZZINIRDDHWAGH-OVLTXKMTSA-N |
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Links |
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Elements |
H
S
C
O
N
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