Geometry & MOs
Info
ID: |
334232 |
PubChem CID: |
127252784 |
Reduced: |
NO7H21C26 (1) |
Stoich.: |
AB7C21D26 (1) |
Weight, g/mol: |
672.225385 |
ΔHf, kcal/mol: |
-161.07 |
Dipole, Da: |
4.86 |
IP(EA), eV: |
-8.49(-1.36) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
4-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide