Geometry & MOs
Info
ID: |
327372 |
PubChem CID: |
126689712 |
Reduced: |
FNO3H4C7 (1) |
Stoich.: |
ABC3D4E7 (1) |
Weight, g/mol: |
799.31053 |
ΔHf, kcal/mol: |
-78.7 |
Dipole, Da: |
3.04 |
IP(EA), eV: |
-10.02(-2.19) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
tert-butyl N-[7-[5-[[5-[(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate