(1R,5S,6S)-6-(5-{2-Fluoro-4-[(5R)-2-Oxo-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-3-Yl]Phenyl}-2-Pyridinyl)-3-Azabicyclo[3.1.0]Hexane-6-Carbonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C23H10FN7O2
IUPAC Name [(z)-3-cyano-7-[8-[2-(ethynylamino)ethynoxycarbonyl]-5-fluoro-8-azabicyclo[4.2.0]octa-1,3,5-trien-4-yl]-5-methylene-4-methylidyneammonio-hept-3-en-1,6-diynyl]-methylidyne-ammonium; molecular nitrogen
Molecular Mass 435.370 g·mol−1
Heat of Formation 3075.1 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 519.56 Å 3
Surface Area 481.52 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -2.03 ± eV
Point Group Symmetry C1
InChIKey RXWDGEMOXLVZFG-NRAANUMRSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F O N