Geometry & MOs
Info
ID: |
448421 |
PubChem CID: |
135290774 |
Reduced: |
NF3O5C10H14 (1) |
Stoich.: |
AB3C5D10E14 (1) |
Weight, g/mol: |
1114.448676 |
ΔHf, kcal/mol: |
-368.69 |
Dipole, Da: |
6.29 |
IP(EA), eV: |
-10.45(-0.77) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl N-[(2S)-1-[2-[[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]methyl]-2-[(2S,3S)-2-hydroxy-4-[4-[2-[6-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-yl]ethynyl]phenyl]-3-[[(2S)-4,4,4-trifluoro-2-(methoxycarbonylamino)-3,3-dimethylbutyl]amino]butyl]hydrazinyl]-4,4,4-trifluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate