(1S,5S,6R)-10-[(3,5-Dichlorophenyl)Sulfonyl]-5-[(1S)-1,2-Dihydroxyethyl]-3-[2-(3,4-Dimethoxyphenoxy)Ethyl]-3,10-Diazabicyclo[4.3.1]Decan-2-One

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Properties Simple | Detailed

Formula C26H32Cl2N2O8S
IUPAC Name (1s,5s,6r)-10-(3,5-dichlorophenyl)sulfonyl-5-[(1s)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
Molecular Mass 603.512 g·mol−1
Heat of Formation -1224.3 ± 16.7 kJ·mol−1
Dipole Moment 6.92 ± 1.08 D
Volume 660.53 Å 3
Surface Area 509.65 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
InChIKey JKYLGBPUGDRSCP-GSPCLOLRSA-N
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Elements C Cl H O N S