Geometry & MOs
Info
ID: |
433396 |
PubChem CID: |
135173533 |
Reduced: |
NOC8H9 (1) |
Stoich.: |
ABC8D9 (1) |
Weight, g/mol: |
1083.463442 |
ΔHf, kcal/mol: |
13.48 |
Dipole, Da: |
3.34 |
IP(EA), eV: |
-9.39(-0.25) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
1-[2-[[2-[2-[2-[4-[[1-[2,6-difluoro-3-(propylsulfonylamino)phenyl]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-yl]-methylamino]piperidin-1-yl]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide