Geometry & MOs
Info
ID: |
66203 |
PubChem CID: |
46500424 |
Reduced: |
OSN2C17H19 (1) |
Stoich.: |
ABC2D17E19 (1) |
Weight, g/mol: |
369.109531 |
ΔHf, kcal/mol: |
16.99 |
Dipole, Da: |
2.91 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.072768 |
Charge, e: |
1 |
Chem-info
IUPAC name:
2-[(2Z)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-methyl-1,3-benzothiazol-3-yl]ethanol