Geometry & MOs
Info
ID: |
41777 |
PubChem CID: |
8147101 |
Reduced: |
SN3O3C23H28 (1) |
Stoich.: |
AB3C3D23E28 (1) |
Weight, g/mol: |
425.177313 |
ΔHf, kcal/mol: |
-59.51 |
Dipole, Da: |
9.55 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.985003 |
Charge, e: |
0 |
Chem-info
IUPAC name:
10-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one