Geometry & MOs
Info
ID: |
445508 |
PubChem CID: |
135267500 |
Reduced: |
O3F4N6C26H26 (1) |
Stoich.: |
A3B4C6D26E26 (1) |
Weight, g/mol: |
845.259421 |
ΔHf, kcal/mol: |
-210.92 |
Dipole, Da: |
7.77 |
IP(EA), eV: |
-8.97(-1.2) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[(1S)-2-(3,5-difluorophenyl)-1-[6-(3-hydroxy-3,4-dimethylpent-1-ynyl)-3-[3-(methanesulfonamido)-1-methylindazol-7-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