Geometry & MOs
Info
ID: |
311565 |
PubChem CID: |
126593833 |
Reduced: |
ClPH25C34 (1) |
Stoich.: |
ABC25D34 (1) |
Weight, g/mol: |
1132.765761 |
ΔHf, kcal/mol: |
155.0 |
Dipole, Da: |
9.9 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.155999 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(E,2S,4R)-N-[(2S)-1-[[(2S)-3-[2-(diethylamino)ethylsulfanyl]-1-[[(2S)-1-[[(2S)-3,4-dimethyl-1-[methyl-[(2R)-5-methyl-1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylidene-1-oxohexan-2-yl]amino]-1-oxopent-4-en-2-yl]amino]-4-methoxy-4-methyl-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]-methylamino]-1-oxobutan-2-yl]-4-methyl-2-[methyl(3-methylbutanoyl)amino]oct-6-enamide