Geometry & MOs
Info
ID: |
434418 |
PubChem CID: |
135174904 |
Reduced: |
NO2C13H29 (1) |
Stoich.: |
AB2C13D29 (1) |
Weight, g/mol: |
981.33651 |
ΔHf, kcal/mol: |
-134.11 |
Dipole, Da: |
1.32 |
IP(EA), eV: |
-8.94(1.63) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,4R)-1-[(2R)-2-tert-butyl-7-[4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]anilino]-3,7-dioxoheptanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide