Geometry & MOs
Info
ID: |
435098 |
PubChem CID: |
135180411 |
Reduced: |
NO3C16H21 (1) |
Stoich.: |
AB3C16D21 (1) |
Weight, g/mol: |
1030.470124 |
ΔHf, kcal/mol: |
-86.81 |
Dipole, Da: |
5.16 |
IP(EA), eV: |
-8.85(-0.76) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,4R)-1-[(2S)-2-[5-[(3R,5S)-5-[[4-(1,5-dimethylimidazol-4-yl)phenyl]methylcarbamoyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]-3-methylbutanoyl]-4-hydroxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide