Geometry & MOs
Info
ID: |
297379 |
PubChem CID: |
117616484 |
Reduced: |
SF2N3H9C12 (1) |
Stoich.: |
AB2C3D9E12 (1) |
Weight, g/mol: |
771.162535 |
ΔHf, kcal/mol: |
5.97 |
Dipole, Da: |
3.97 |
IP(EA), eV: |
-8.67(-1.02) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
tert-butyl N-[7a-benzyl-2-[2,6-dichloro-4-(1,1-difluoroethyl)phenyl]-4,6-bis(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate