Geometry & MOs
Info
ID: |
164366 |
PubChem CID: |
74390869 |
Reduced: |
O7C8H12 (1) |
Stoich.: |
A7B8C12 (1) |
Weight, g/mol: |
602.124012 |
ΔHf, kcal/mol: |
-288.99 |
Dipole, Da: |
0.99 |
IP(EA), eV: |
-10.36(0.03) |
Spin(Sz, S2): |
None, None |
Charge, e: |
1 |
Chem-info
IUPAC name:
7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-carboxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-ium-4-yl)methyl]-6,7-dimethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid