Geometry & MOs
Info
ID: |
298015 |
PubChem CID: |
117646595 |
Reduced: |
FN3O3C20H20 (1) |
Stoich.: |
AB3C3D20E20 (1) |
Weight, g/mol: |
1458.416049 |
ΔHf, kcal/mol: |
-105.73 |
Dipole, Da: |
6.66 |
IP(EA), eV: |
-9.02(-1.05) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[1-[[5-carbamimidamido-1-[[3-carboxy-1-[[3-carboxy-1-[[1-carboxy-2-[3-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxypropyldisulfanyl]ethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid