(16R)-12-(2,6-Dimethyl-3H-Pyridin-1-Ium-3-Id-4-Yl)-10-Fluoro-16-Methyl-15-Oxo-Blahe-11-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C20H27FN2O3S+
IUPAC Name (16r)-12-(2,6-dimethyl-3h-pyridin-1-ium-3-id-4-yl)-10-fluoro-16-methyl-15-oxo-blahe-11-carboxylic acid
Molecular Mass 394.503 g·mol−1
Heat of Formation -499.2 ± 16.7 kJ·mol−1
Dipole Moment 6.08 ± 1.08 D
Volume 422.04 Å 3
Surface Area 363.91 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 2.82 ± eV
Point Group Symmetry C1
InChIKey ZLRRPLPBOTZMSN-YRHVRGMISA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S