Geometry & MOs
Info
ID: |
312871 |
PubChem CID: |
126609347 |
Reduced: |
BrN3C8H10 (1) |
Stoich.: |
AB3C8D10 (1) |
Weight, g/mol: |
945.362565 |
ΔHf, kcal/mol: |
53.63 |
Dipole, Da: |
2.96 |
IP(EA), eV: |
-8.99(-0.52) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
5-[2-ethoxy-5-[4-[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)phenyl]sulfonylpiperazine-1-carbonyl]piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one