Formula |
C16H22N4O9S |
IUPAC Name |
(6r,7s)-7-[[(5r)-5-amino-5-carboxy-pentanoyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
Molecular Mass |
446.432 g·mol−1 |
Heat of Formation |
832.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.21 ± 1.08 D |
Volume |
461.78 Å 3 |
Surface Area |
417.33 Å 2 |
HOMO Energy |
-9.61 ± 0.55 eV |
LUMO Energy |
-3.92 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
LXWBXEWUSAABOA-VXSYNFHWSA-M |
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Elements |
S
C
O
N
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