Geometry & MOs
Info
ID: |
42888 |
PubChem CID: |
8150142 |
Reduced: |
OS2N3H22C23 (1) |
Stoich.: |
AB2C3D22E23 (1) |
Weight, g/mol: |
385.146013 |
ΔHf, kcal/mol: |
75.9 |
Dipole, Da: |
16.54 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.933460 |
Charge, e: |
0 |
Chem-info
IUPAC name:
10-[(3,4-diethoxyanilino)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one