Geometry & MOs
Info
ID: |
132908 |
PubChem CID: |
51444816 |
Reduced: |
SO2F3N6C21H22 (1) |
Stoich.: |
AB2C3D6E21F22 (1) |
Weight, g/mol: |
479.147705 |
ΔHf, kcal/mol: |
-88.54 |
Dipole, Da: |
7.1 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.878069 |
Charge, e: |
-1 |
Chem-info
IUPAC name:
5-[(5R,7R)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazole-3-thiolate