Geometry & MOs
Info
ID: |
148569 |
PubChem CID: |
53788237 |
Reduced: |
SN5H12C14 (1) |
Stoich.: |
AB5C12D14 (1) |
Weight, g/mol: |
369.060569 |
ΔHf, kcal/mol: |
141.51 |
Dipole, Da: |
2.9 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.982991 |
Charge, e: |
0 |
Chem-info
IUPAC name:
5-methyl-1,2-benzothiazol-3-one;2-[(5-methyl-1,2-benzothiazol-3-yl)oxy]acetonitrile