Geometry & MOs
Info
ID: |
432588 |
PubChem CID: |
135172722 |
Reduced: |
N3C12H23 (1) |
Stoich.: |
A3B12C23 (1) |
Weight, g/mol: |
963.515106 |
ΔHf, kcal/mol: |
13.91 |
Dipole, Da: |
4.06 |
IP(EA), eV: |
-8.05(0.3) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[2-[[(2S)-2-[6-[3-(aminomethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]hexanoyl-methylamino]-3-methylbutanoyl]amino]acetyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-(4-fluorophenyl)propanoic acid