Rimegepant
Properties
Property | Value |
---|---|
Formula | C28H28F2N6O3 |
IUPAC Name | [(5s,6s,9r)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5h-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3h-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate |
Molecular Mass | 534.557 g·mol−1 |
Heat of Formation | -559.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.41 ± 1.08 D |
Volume | 593.45 Å 3 |
Surface Area | 453.75 Å 2 |
HOMO Energy | -9.04 ± 0.55 eV |
LUMO Energy | 2.38 ± eV |
Point Group Symmetry | C1 |
InChIKey | KRNAOFGYEFKHPB-ANJVHQHFSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |