(1S,5S,6R)-10-[(3,5-Dichlorophenyl)Sulfonyl]-5-(2-Methoxyethoxy)-3-(2-Methoxyethyl)-3,10-Diazabicyclo[4.3.1]Decan-2-One

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Properties Simple | Detailed

Formula C20H28Cl2N2O6S
IUPAC Name (1r,2s,6s,10s)-10-(3,5-dichlorophenyl)sulfonyl-2-(2-methoxyethoxy)-4-(2-methoxyethyl)-4,10-diazabicyclo[4.3.1]decan-5-one
Molecular Mass 495.417 g·mol−1
Heat of Formation -986.8 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 537.82 Å 3
Surface Area 401.88 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
InChIKey NVEGGBQTNWZDFS-QYZOEREBSA-N
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Elements C Cl H O N S