Geometry & MOs
Info
ID: |
173448 |
PubChem CID: |
75639838 |
Reduced: |
ClSO2F3N4H13C18 (1) |
Stoich.: |
ABC2D3E4F13G18 (1) |
Weight, g/mol: |
366.180424 |
ΔHf, kcal/mol: |
-63.0 |
Dipole, Da: |
6.86 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.828875 |
Charge, e: |
2 |
Chem-info
IUPAC name:
N-[3-(1H-imidazol-3-ium-3-yl)propyl]-6,10-dimethyl-2-oxo-6,8-diaza-1-azoniatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide