Geometry & MOs
Info
ID: |
375712 |
PubChem CID: |
134220910 |
Reduced: |
IPF2N4O5C27H36 (1) |
Stoich.: |
ABC2D4E5F27G36 (1) |
Weight, g/mol: |
1720.676899 |
ΔHf, kcal/mol: |
-329.18 |
Dipole, Da: |
7.91 |
IP(EA), eV: |
-9.54(-1.18) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
4-[[(2S)-6-acetamido-1-[[1-[[1-[[(2S)-1-[[3-acetamido-1-[[1-amino-6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-amino-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-[[(2R)-2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid