Formula |
C16H17N3O5S |
IUPAC Name |
(6s,7r)-7-[[(2s)-2-amino-2-phenyl-acetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
Molecular Mass |
363.388 g·mol−1 |
Heat of Formation |
-573.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.92 ± 1.08 D |
Volume |
403.59 Å 3 |
Surface Area |
352.85 Å 2 |
HOMO Energy |
-9.19 ± 0.55 eV |
LUMO Energy |
2.22 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
HUKRJWVLQPKROI-RWSFTLGLSA-N |
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Elements |
H
S
C
O
N
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