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

Molecule SVG Image

Properties Simple | Detailed

Formula C24H17FIN6O2
IUPAC Name 3-[2-(4-azido-3-iodanylphenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular Mass 567.334 g·mol−1
Heat of Formation 172.0 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 698.18 Å 3
Surface Area 584.93 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 2.15 ± 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F I H O N