3-Chloro-N-{[4-(2-Hydroxyethyl)-4-Oxido-1-Piperazinyl]Sulfinyl}-5-Methyl-6-Oxo-2,4-Cyclohexadiene-1-Carboxamide

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Properties Simple | Detailed

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