Geometry & MOs
Info
ID: |
439768 |
PubChem CID: |
135229588 |
Reduced: |
BrON4C10H13 (1) |
Stoich.: |
ABC4D10E13 (1) |
Weight, g/mol: |
717.320957 |
ΔHf, kcal/mol: |
-7.72 |
Dipole, Da: |
3.43 |
IP(EA), eV: |
-8.64(-0.86) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-methylsulfanyl-3-[(3S)-1-[2-oxo-2-[1-(5-pyrimidin-2-ylpyridin-2-yl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-N-[3-(6-propan-2-yloxypyridin-3-yl)-1H-indazol-5-yl]prop-2-enamide