Geometry & MOs
Info
ID: |
231148 |
PubChem CID: |
87572771 |
Reduced: |
BNaC6O6F9 (1) |
Stoich.: |
ABC6D6E9 (1) |
Weight, g/mol: |
546.202502 |
ΔHf, kcal/mol: |
-816.21 |
Dipole, Da: |
10.32 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.759117 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(2R,3S,4S,5R,6R)-6-[4-[(3,5-difluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-3,4,5,6-tetrahydroxyoxan-2-yl]methyl ethyl carbonate