N-{(2S)-3-[(3S)-8',9'-Dihydro-1H,3'H-Spiro[Piperidine-3,7'-Pyrano[3,2-E]Indazol]-1-Yl]-2-Hydroxypropyl}-N-(2-Ethoxyethyl)-2,6-Dimethylbenzenesulfonamide

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Properties Simple | Detailed

Formula C29H40N4O5S
IUPAC Name n-(2-ethoxyethyl)-n-[(2s)-2-hydroxy-3-[(1'r,7s)-spiro[8,9-dihydropyrano[3,2-e]indazol-3-ium-5a-ylium-7,3'-piperidine]-1'-yl]propyl]-2,6-dimethyl-benzenesulfonamide
Molecular Mass 556.717 g·mol−1
Heat of Formation -707.3 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 661.68 Å 3
Surface Area 428.33 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
InChIKey ZSKFBGIRLVOQAD-MUAVYFROSA-N
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