Geometry & MOs
Info
ID: |
231094 |
PubChem CID: |
87572626 |
Reduced: |
SO5C19H20 (1) |
Stoich.: |
AB5C19D20 (1) |
Weight, g/mol: |
1214.69912 |
ΔHf, kcal/mol: |
-128.48 |
Dipole, Da: |
4.62 |
IP(EA), eV: |
-7.99(-0.66) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[[(1R,2R)-2-[6-[[(1S,2R)-1-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]oxy]hexa-2,4-diynoxy]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate