Geometry & MOs
Info
ID: |
127453 |
PubChem CID: |
51002645 |
Reduced: |
BrO3C11H13 (1) |
Stoich.: |
AB3C11D13 (1) |
Weight, g/mol: |
981.507237 |
ΔHf, kcal/mol: |
-123.79 |
Dipole, Da: |
3.48 |
IP(EA), eV: |
-9.63(-0.32) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[(5S)-5-acetamido-6-amino-6-oxohexyl]-N'-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]amino]-3-methylbutanoyl]amino]-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carbonyl]amino]ethyl]pentanediamide