Geometry & MOs
Info
ID: |
427325 |
PubChem CID: |
135157190 |
Reduced: |
NC7H8 (2) |
Stoich.: |
AB7C8 (2) |
Weight, g/mol: |
952.37086 |
ΔHf, kcal/mol: |
51.99 |
Dipole, Da: |
3.08 |
IP(EA), eV: |
-8.05(-0.2) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide