Geometry & MOs
Info
ID: |
309649 |
PubChem CID: |
126551978 |
Reduced: |
OF3C21H33 (1) |
Stoich.: |
AB3C21D33 (1) |
Weight, g/mol: |
976.62623 |
ΔHf, kcal/mol: |
-254.91 |
Dipole, Da: |
3.51 |
IP(EA), eV: |
-9.19(0.45) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S)-N-[(1S)-2-[(3aS,7aR)-6-[2-[4-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]phenyl]ethyl]-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide