Geometry & MOs
Info
ID: |
308408 |
PubChem CID: |
125326934 |
Reduced: |
SN3O3C8H9 (1) |
Stoich.: |
AB3C3D8E9 (1) |
Weight, g/mol: |
621.287257 |
ΔHf, kcal/mol: |
-56.99 |
Dipole, Da: |
2.86 |
IP(EA), eV: |
-9.51(-0.98) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2R)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-methylsulfanylbutanamide