Geometry & MOs
Info
ID: |
232771 |
PubChem CID: |
87576938 |
Reduced: |
OSiC2H2Cl3 (1) |
Stoich.: |
ABC2D2E3 (1) |
Weight, g/mol: |
348.150764 |
ΔHf, kcal/mol: |
-25.64 |
Dipole, Da: |
1.74 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.751196 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[1-(2,5-dimethylphenyl)-2-oxo-2-(piperidine-4-carbothioylamino)ethyl] acetate