Geometry & MOs
Info
ID: |
433531 |
PubChem CID: |
135173670 |
Reduced: |
NO2C18H29 (1) |
Stoich.: |
AB2C18D29 (1) |
Weight, g/mol: |
779.344059 |
ΔHf, kcal/mol: |
-94.51 |
Dipole, Da: |
4.67 |
IP(EA), eV: |
-8.48(0.5) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
tert-butyl 2-[4-[[1-[4-[3-[2,6-difluoro-3-[(3-fluoropyrrolidin-1-yl)sulfinylamino]benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]acetate