Geometry & MOs
Info
ID: |
448661 |
PubChem CID: |
135292615 |
Reduced: |
ON4C15H26 (1) |
Stoich.: |
AB4C15D26 (1) |
Weight, g/mol: |
970.48723 |
ΔHf, kcal/mol: |
-40.11 |
Dipole, Da: |
5.3 |
IP(EA), eV: |
-8.85(-0.38) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(5S,11S,14S)-14-(2-amino-2-oxoethyl)-11-(3-amino-3-oxopropyl)-8-butan-2-yl-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-17-carbonyl]pyrrolidine-2-carboxamide