Geometry & MOs
Info
ID: |
449831 |
PubChem CID: |
135301978 |
Reduced: |
NOH9C10 (1) |
Stoich.: |
ABC9D10 (1) |
Weight, g/mol: |
891.366663 |
ΔHf, kcal/mol: |
34.03 |
Dipole, Da: |
3.64 |
IP(EA), eV: |
-10.14(-0.96) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl N-[(2S)-1-[[(2S,3S)-4-[[4-[(Z,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-yl]-2,6-difluorophenyl]methylamino]-3-hydroxy-1-[4-[2-[2-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-5-yl]ethynyl]phenyl]butan-2-yl]amino]-4,4,4-trifluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate