Geometry & MOs
Info
ID: |
424558 |
PubChem CID: |
135123112 |
Reduced: |
IN2O2C7H9 (1) |
Stoich.: |
AB2C2D7E9 (1) |
Weight, g/mol: |
653.324705 |
ΔHf, kcal/mol: |
-43.5 |
Dipole, Da: |
0.87 |
IP(EA), eV: |
-10.12(-1.71) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2,2-dimethyl-3-[4-methyl-3-[[(4R)-4-methyl-1,1-dioxo-3,4-dihydro-5,1lambda6,2-benzoxathiazepin-2-yl]methyl]phenyl]-3-[[1-[(1-propylpiperidin-4-yl)methyl]triazol-4-yl]methoxy]propanoic acid