Formula |
C14H20ClN3O5S |
IUPAC Name |
(1r)-3-chloro-n-[4-(2-hydroxyethyl)-4-oxido-piperazin-4-ium-1-yl]sulfinyl-5-methyl-6-oxo-cyclohexa-2,4-diene-1-carboxamide |
Molecular Mass |
377.844 g·mol−1 |
Heat of Formation |
1600.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.69 ± 1.08 D |
Volume |
388.15 Å 3 |
Surface Area |
353.14 Å 2 |
HOMO Energy |
-8.60 ± 0.55 eV |
LUMO Energy |
-1.53 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
JOVZZAFFXJOKGY-OIRASMEMSA-N |
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Elements |
S
N
C
O
Cl
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