Geometry & MOs
Info
ID: |
176724 |
PubChem CID: |
76088858 |
Reduced: |
IO5C20H35 (1) |
Stoich.: |
AB5C20D35 (1) |
Weight, g/mol: |
1598.817373 |
ΔHf, kcal/mol: |
-269.85 |
Dipole, Da: |
3.66 |
IP(EA), eV: |
-9.8(-0.9) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
4-[[1-[[1-[[1-[[1-[6-aminohexanoyl-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoic acid