Geometry & MOs
Info
ID: |
445465 |
PubChem CID: |
135267186 |
Reduced: |
ON3C7H9 (1) |
Stoich.: |
AB3C7D9 (1) |
Weight, g/mol: |
790.242626 |
ΔHf, kcal/mol: |
3.2 |
Dipole, Da: |
4.25 |
IP(EA), eV: |
-9.11(-0.44) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[(2S,5R)-10-(difluoromethyl)-6,6-difluoro-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-8-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-[3-(2,2,2-trifluoroethylamino)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyridin-2-yl]ethyl]acetamide