Geometry & MOs
Info
ID: |
6500 |
PubChem CID: |
68771 |
Reduced: |
BrN2O3C21H25 (1) |
Stoich.: |
AB2C3D21E25 (1) |
Weight, g/mol: |
432.10486 |
ΔHf, kcal/mol: |
-99.71 |
Dipole, Da: |
3.88 |
IP(EA), eV: |
-8.52(-0.32) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl (15S,17S,19S)-4-bromo-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene-17-carboxylate