Geometry & MOs
Info
ID: |
170410 |
PubChem CID: |
75230254 |
Reduced: |
NO2C9H15 (1) |
Stoich.: |
AB2C9D15 (1) |
Weight, g/mol: |
799.307749 |
ΔHf, kcal/mol: |
-96.35 |
Dipole, Da: |
5.02 |
IP(EA), eV: |
-9.06(0.11) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[5-(4-amino-2-oxopyrimidin-1-yl)-3-[6-[3-[2,2-difluoro-12-(4-methoxyphenyl)-4,6-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-5-yl]propanoylamino]hexanoylamino]oxolan-2-yl]methyl dihydrogen phosphate