Methyl (1S,3S,4S,5R,8S)-3-(4-Azido-3-Iodo-Benzoyl)Oxy-8-Methyl-8-Azabicyclo[3.2.1]Octane-4-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C17H20IN4O4
IUPAC Name methyl (1s,3s,4s,5r,8s)-3-(4-azido-3-iodo-benzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Molecular Mass 471.270 g·mol−1
Heat of Formation -222.8 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 444.17 Å 3
Surface Area 377.48 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.61 ± eV
Point Group Symmetry C1
InChIKey BIPSFLMRVLJXFE-PUPMMZHASA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements I H C O N