Geometry & MOs
Info
ID: |
232310 |
PubChem CID: |
87575956 |
Reduced: |
AgS2C5H12 (1) |
Stoich.: |
AB2C5D12 (1) |
Weight, g/mol: |
727.325099 |
ΔHf, kcal/mol: |
-17.48 |
Dipole, Da: |
4.45 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.761088 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(7E)-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 1,3-dihydroisoindole-2-carboxylate