Geometry & MOs
Info
ID: |
41271 |
PubChem CID: |
8145578 |
Reduced: |
OSN3C24H32 (1) |
Stoich.: |
ABC3D24E32 (1) |
Weight, g/mol: |
409.218784 |
ΔHf, kcal/mol: |
-0.93 |
Dipole, Da: |
7.95 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.876078 |
Charge, e: |
0 |
Chem-info
IUPAC name:
10-[[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one