Geometry & MOs
Info
ID: |
311539 |
PubChem CID: |
126593627 |
Reduced: |
NSC9H19 (1) |
Stoich.: |
ABC9D19 (1) |
Weight, g/mol: |
1219.851933 |
ΔHf, kcal/mol: |
-31.3 |
Dipole, Da: |
2.76 |
IP(EA), eV: |
-8.94(0.48) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(E,3R,4R)-3-hydroxy-N-[(2S)-1-[[2-[[(2S)-4-hydroxy-4-methyl-1-[[(2S)-3-methyl-1-[methyl-[(2S)-4-methyl-1-[[(2S)-1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-1-oxobutan-2-yl]-4-methyl-2-[methyl-[(2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-[methyl(4-methylpentanoyl)amino]pentanoyl]amino]butanoyl]amino]oct-6-enamide