Geometry & MOs
Info
ID: |
449201 |
PubChem CID: |
135296785 |
Reduced: |
BrNF2O2C8H12 (1) |
Stoich.: |
ABC2D2E8F12 (1) |
Weight, g/mol: |
531.211784 |
ΔHf, kcal/mol: |
-185.89 |
Dipole, Da: |
3.44 |
IP(EA), eV: |
-10.65(-0.22) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(6R)-10-(methoxymethyl)-3,3-dimethyl-15-oxo-9-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethoxy]-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-16-carboxylic acid