Geometry & MOs
Info
ID: |
446827 |
PubChem CID: |
135278039 |
Reduced: |
NI3O3H12C15 (1) |
Stoich.: |
AB3C3D12E15 (1) |
Weight, g/mol: |
1039.614011 |
ΔHf, kcal/mol: |
-13.02 |
Dipole, Da: |
10.38 |
IP(EA), eV: |
-9.44(-2.06) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
sulfanyl 4-[[(3S)-3-[[2-[[4-[[(2S)-5-(1-aminoethenylamino)-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]-3-methylbutanoyl]amino]-4-methylpent-1-en-2-yl]-methylamino]-3-ethyl-5-methylheptanoate