Geometry & MOs
Info
ID: |
42605 |
PubChem CID: |
8149762 |
Reduced: |
O2S2N3C20H20 (1) |
Stoich.: |
A2B2C3D20E20 (1) |
Weight, g/mol: |
349.045189 |
ΔHf, kcal/mol: |
21.51 |
Dipole, Da: |
10.85 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.889923 |
Charge, e: |
0 |
Chem-info
IUPAC name:
10-[(3-chloro-4-fluoroanilino)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one