Geometry & MOs
Info
ID: |
449809 |
PubChem CID: |
135301711 |
Reduced: |
ON3C17H21 (1) |
Stoich.: |
AB3C17D21 (1) |
Weight, g/mol: |
970.487665 |
ΔHf, kcal/mol: |
63.73 |
Dipole, Da: |
5.34 |
IP(EA), eV: |
-8.36(-0.02) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl N-[(2S)-1-[[(2S,3S)-1-[4-[2-[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]ethynyl]phenyl]-4-[[2,6-difluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]amino]-3-hydroxybutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate