Geometry & MOs
Info
ID: |
433780 |
PubChem CID: |
135173922 |
Reduced: |
NC12H27 (1) |
Stoich.: |
AB12C27 (1) |
Weight, g/mol: |
1206.437761 |
ΔHf, kcal/mol: |
-59.03 |
Dipole, Da: |
1.36 |
IP(EA), eV: |
-8.69(3.16) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[2-[4-[3-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonylamino]benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide