Geometry & MOs
Info
ID: |
227198 |
PubChem CID: |
87560543 |
Reduced: |
N3C22H49 (1) |
Stoich.: |
A3B22C49 (1) |
Weight, g/mol: |
904.304796 |
ΔHf, kcal/mol: |
-82.43 |
Dipole, Da: |
4.69 |
IP(EA), eV: |
-8.88(2.92) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
tert-butyl N-[[5-(benzenesulfonyl)-1-(2-fluoropyridin-3-yl)pyrazol-3-yl]methyl]-N-methylcarbamate;tert-butyl N-[[5-(benzenesulfonyl)-1-(2-methoxypyridin-3-yl)pyrazol-3-yl]methyl]-N-methylcarbamate