Geometry & MOs
Info
ID: |
322888 |
PubChem CID: |
126671536 |
Reduced: |
NO3C14H29 (1) |
Stoich.: |
AB3C14D29 (1) |
Weight, g/mol: |
1018.409057 |
ΔHf, kcal/mol: |
-155.52 |
Dipole, Da: |
2.08 |
IP(EA), eV: |
-8.99(0.51) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,4R)-1-[(2S)-2-[3-[5-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,3,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]-2-fluorophenyl]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide