Geometry & MOs
Info
ID: |
225897 |
PubChem CID: |
87235961 |
Reduced: |
BrPO3C5H13 (1) |
Stoich.: |
ABC3D5E13 (1) |
Weight, g/mol: |
539.096697 |
ΔHf, kcal/mol: |
-166.42 |
Dipole, Da: |
2.97 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.762553 |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[[(3Z)-3-[1-(cyclopropylmethylamino)-2,4-dioxoquinolin-3-ylidene]-1,1-dihydroxy-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methyl]ethanesulfonamide