Geometry & MOs
Info
ID: |
448414 |
PubChem CID: |
135290717 |
Reduced: |
FIN4O6C19H28 (1) |
Stoich.: |
ABC4D6E19F28 (1) |
Weight, g/mol: |
1184.490541 |
ΔHf, kcal/mol: |
-284.93 |
Dipole, Da: |
6.91 |
IP(EA), eV: |
-9.28(-0.83) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
tert-butyl 3-[5-[2-[4-[(2S,3S)-4-[[4-[1-(difluoromethyl)pyrazol-4-yl]-2,6-difluorophenyl]methyl-[[(2S)-4,4,4-trifluoro-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]amino]-3-hydroxy-2-[[(2S)-4,4,4-trifluoro-2-(methoxycarbonylamino)-3,3-dimethylbutyl]amino]butyl]phenyl]ethynyl]pyridin-2-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate