Geometry & MOs
Info
ID: |
178809 |
PubChem CID: |
76385176 |
Reduced: |
SO6C17H24 (1) |
Stoich.: |
AB6C17D24 (1) |
Weight, g/mol: |
1336.674865 |
ΔHf, kcal/mol: |
-255.98 |
Dipole, Da: |
5.72 |
IP(EA), eV: |
-9.2(-0.15) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-[[2-[[19-acetamido-5-(4-aminobutyl)-2-(hydroxymethyl)-8-(1H-indol-3-ylmethyl)-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentazacycloicosane-11-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid