3-{2-[4-Azido-3-(~125~I)Iodophenyl]Ethyl}-8-[4-(4-Fluorophenyl)-4-Oxobutyl]-1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One

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Properties Simple | Detailed

Formula C31H32FIN6O2
IUPAC Name 3-[2-(4-azido-3-(125i)iodanyl-phenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxo-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular Mass 664.528 g·mol−1
Heat of Formation 136.4 ± 16.7 kJ·mol−1
Dipole Moment 6.72 ± 1.08 D
Volume 692.74 Å 3
Surface Area 473.56 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,8-triazaspiro(4.5)decan-4-one, 3-(2-(4-azido-3-(iodo-125i)phenyl)ethyl)-8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-, (6r-(3(1s*,2r*),6alpha,7beta(r*)))-
  • i-n3-naps
  • n-(4-azido-3-iodophenethyl)spiperone
  • n-(4-azido-3-iodophenethyl)spiroperidol
CAS Number(s)
  • 95754-28-2
InChIKey FGEADKYCRHPWJF-DSNWZYGKSA-N
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