Geometry & MOs
Info
ID: |
148159 |
PubChem CID: |
53787821 |
Reduced: |
Br3C5H9 (1) |
Stoich.: |
A3B5C9 (1) |
Weight, g/mol: |
789.50405 |
ΔHf, kcal/mol: |
-26.7 |
Dipole, Da: |
1.93 |
IP(EA), eV: |
-10.62(-1.13) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
ethyl 2-[[(3S)-3-[(2S)-2-[acetyl-[(2S)-2-amino-3-phenylpropanoyl]amino]-1-[[(2S)-1-cyclohexyl-5-(2-methylpropylamino)-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,3-dihydro-1-benzofuran-5-yl]methylamino]acetate