Geometry & MOs
Info
ID: |
227118 |
PubChem CID: |
87560266 |
Reduced: |
N3C4O6H10 (1) |
Stoich.: |
A3B4C6D10 (1) |
Weight, g/mol: |
915.259929 |
ΔHf, kcal/mol: |
-71.59 |
Dipole, Da: |
5.65 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.753038 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[5-(benzenesulfonyl)-1-(2-chloropyridin-3-yl)pyrazol-3-yl]methyl-(2,2-dimethylpropyl)carbamic acid;[5-(benzenesulfonyl)-1-(2-cyanopyridin-3-yl)pyrazol-3-yl]methyl-(2,2-dimethylpropyl)carbamic acid