4-Azido-N-[4-[(R)-[(1S,2S,4S,5R)-5-Ethylquinuclidin-2-Yl]-Hydroxy-Methyl]Quinolin-1-Ium-4A-Id-8-Yl]-2-Hydroxy-5-Iodo-Benzamide

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Properties Simple | Detailed

Formula C26H29IN6O3
IUPAC Name 4-azido-n-[4-[(r)-[(1s,2s,4s,5r)-5-ethylquinuclidin-2-yl]-hydroxy-methyl]quinolin-1-ium-4a-id-8-yl]-2-hydroxy-5-iodo-benzamide
Molecular Mass 600.451 g·mol−1
Heat of Formation 70.7 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 592.54 Å 3
Surface Area 494.6 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
InChIKey SNIRWPCRHNUWPH-UCSXSBGPSA-N
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