Geometry & MOs
Info
ID: |
161052 |
PubChem CID: |
57390631 |
Reduced: |
FN2O4H19C21 (1) |
Stoich.: |
AB2C4D19E21 (1) |
Weight, g/mol: |
1274.655375 |
ΔHf, kcal/mol: |
-146.0 |
Dipole, Da: |
9.92 |
IP(EA), eV: |
-9.07(-1.06) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3S,9S,14S,17S,23S,26S,29S)-9-[[(2S)-2-acetamido-4-methylsulfanylbutanoyl]amino]-3-(4-aminobutyl)-N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-17,23-bis(3-amino-3-oxopropyl)-6-[(2S)-butan-2-yl]-26-(1H-imidazol-5-ylmethyl)-2,5,8,11,16,19,22,25,28-nonaoxo-1,4,7,12,15,18,21,24,27-nonazabicyclo[27.3.0]dotriacontane-14-carboxamide