Geometry & MOs
Info
ID: |
326695 |
PubChem CID: |
126688027 |
Reduced: |
N3O3C10H17 (1) |
Stoich.: |
A3B3C10D17 (1) |
Weight, g/mol: |
811.411606 |
ΔHf, kcal/mol: |
-126.5 |
Dipole, Da: |
1.9 |
IP(EA), eV: |
-9.72(0.44) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(8S,11S,14S)-14-[[2-[[(2S)-2-amino-2-[[(2R)-3-hydroxy-2-[methyl(undecanoyl)amino]propanoyl]amino]acetyl]amino]acetyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid