Geometry & MOs
Info
ID: |
172977 |
PubChem CID: |
75577377 |
Reduced: |
N3O5C14H17 (1) |
Stoich.: |
A3B5C14D17 (1) |
Weight, g/mol: |
911.46135 |
ΔHf, kcal/mol: |
-126.32 |
Dipole, Da: |
6.61 |
IP(EA), eV: |
-9.69(-1.22) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-amino-4-[[1-[[1-[[1-[[1-[[1-[2-[(1-carboxy-2-phenylethyl)carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid