Geometry & MOs
Info
ID: |
433426 |
PubChem CID: |
135173563 |
Reduced: |
OSN2C8H18 (1) |
Stoich.: |
ABC2D8E18 (1) |
Weight, g/mol: |
1084.391086 |
ΔHf, kcal/mol: |
-47.73 |
Dipole, Da: |
2.04 |
IP(EA), eV: |
-8.17(0.42) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,4R)-N-[[4-[(Z)-2-amino-1-sulfanylprop-1-enyl]phenyl]methyl]-1-[(2S)-2-[3-[2-[4-[4-[3-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonylamino]benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide