Geometry & MOs
Info
ID: |
84060 |
PubChem CID: |
49863951 |
Reduced: |
ClFON3H17C21 (1) |
Stoich.: |
ABCD3E17F21 (1) |
Weight, g/mol: |
1783.692334 |
ΔHf, kcal/mol: |
-41.72 |
Dipole, Da: |
3.62 |
IP(EA), eV: |
-8.79(-1.47) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[(E)-[4-[[(6aS,7S,10aS)-9-carbamoyl-7-(dimethylamino)-1,8,10a,12-tetrahydroxy-5-methyl-10,11-dioxo-6a,7-dihydro-6H-tetracen-2-yl]carbamoyl]phenyl]methylideneamino]oxyacetyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid