Geometry & MOs
Info
ID: |
229942 |
PubChem CID: |
87569602 |
Reduced: |
NSiO2C25H54 (1) |
Stoich.: |
ABC2D25E54 (1) |
Weight, g/mol: |
600.195995 |
ΔHf, kcal/mol: |
-228.83 |
Dipole, Da: |
3.05 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.756719 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S)-N-[1-cyano-2-(4-cyano-2-fluorophenyl)ethyl]-2-cyclopropyl-2-[[(1S)-1-[4-[4-[(1R)-2,2-difluoro-1-hydroxyethyl]phenyl]phenyl]-2,2,2-trifluoroethyl]amino]acetamide