Geometry & MOs
Info
ID: |
149624 |
PubChem CID: |
53789298 |
Reduced: |
OSN2C16H24 (1) |
Stoich.: |
ABC2D16E24 (1) |
Weight, g/mol: |
478.167477 |
ΔHf, kcal/mol: |
-38.71 |
Dipole, Da: |
3.24 |
IP(EA), eV: |
-8.74(-0.02) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
12-methoxy-5-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl)ethyl]-8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione