Geometry & MOs
Info
ID: |
445460 |
PubChem CID: |
135267149 |
Reduced: |
BrON3C7H8 (1) |
Stoich.: |
ABC3D7E8 (1) |
Weight, g/mol: |
741.229835 |
ΔHf, kcal/mol: |
9.96 |
Dipole, Da: |
2.77 |
IP(EA), eV: |
-8.47(-0.54) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[(1S)-2-(3,5-difluorophenyl)-1-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridin-2-yl]ethyl]-2-[(2S,5R)-6,6-difluoro-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-8-yl]acetamide