Geometry & MOs
Info
ID: |
434516 |
PubChem CID: |
135175117 |
Reduced: |
FNO2C16H22 (1) |
Stoich.: |
ABC2D16E22 (1) |
Weight, g/mol: |
1008.423564 |
ΔHf, kcal/mol: |
-114.6 |
Dipole, Da: |
1.93 |
IP(EA), eV: |
-9.08(-0.7) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,4R)-N-[[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]-4-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide