(3Xi,16β,17Alpha,20Alpha)-N-{2-[4-Amino-3-(~125~I)Iodophenyl]Ethyl}-17-Hydroxyyohimban-16-Carboxamide

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Formula C28H33IN4O2
IUPAC Name (1s,13r,15s,18s,19s,20s)-n-[2-(4-amino-3-iodo-phenyl)ethyl]-18-hydroxy-1,5,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-3-ium-5-ide-19-carboxamide
Molecular Mass 582.492 g·mol−1
Heat of Formation -112.7 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 595.61 Å 3
Surface Area 498.6 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
InChIKey UMARCJBKMLPVIC-QFFZWZOUSA-N
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