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 C14H13ClN3O5S+
IUPAC Name [(6-chloro-4-methylene-3-oxo-bicyclo[3.1.0]hexane-2-carbonyl)amino]-oxo-sulfonium; [(2s)-2-[2-(ethylamino)ethynyl]oxaziridin-2-ium-3-ylidene]methanone
Molecular Mass 370.788 g·mol−1
Heat of Formation 1602.3 ± 16.7 kJ·mol−1
Dipole Moment 7.93 ± 1.08 D
Volume 383.32 Å 3
Surface Area 361.01 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
InChIKey JOVZZAFFXJOKGY-OIRASMEMSA-N
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Elements S N C O Cl