Ibacitabine

Molecule SVG Image

Properties Simple | Detailed

Formula C9H12IN3O4
IUPAC Name 4-amino-1-[(2r,4r,5s)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidin-3-ium-2-one
Molecular Mass 353.114 g·mol−1
Heat of Formation -559.4 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 291.58 Å 3
Surface Area 261.54 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
InChIKey WEVJJMPVVFNAHZ-DSYKOEDSSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements I H C O N