N-{2-[(3-{[2-Cyano-3-(~125~I)Iodo-1H-Indol-4-Yl]Oxy}-2-Hydroxypropyl)Amino]-2-Methylpropyl}-4-[3-(Trifluoromethyl)-3H-Diaziren-3-Yl]Benzamide

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Properties Simple | Detailed

Formula C25H26F3IN6O3
IUPAC Name n-[2-[[(2r)-3-[(2-cyano-3-iodo-6h-indol-1-ium-6-id-4-yl)oxy]-2-hydroxy-propyl]amino]-2-methyl-propyl]-4-[3-(trifluoromethyl)-1,2-diazanidacycloprop-3-yl]benzamide
Molecular Mass 642.412 g·mol−1
Heat of Formation -313.0 ± 16.7 kJ·mol−1
Dipole Moment 7.47 ± 1.08 D
Volume 636.39 Å 3
Surface Area 526.77 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 1.35 ± eV
Point Group Symmetry C1
InChIKey GJONGNKORQSJSA-KXFCFXQISA-N
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