Geometry & MOs
Info
ID: |
436817 |
PubChem CID: |
135211832 |
Reduced: |
O2N3C11H11 (1) |
Stoich.: |
A2B3C11D11 (1) |
Weight, g/mol: |
690.35634 |
ΔHf, kcal/mol: |
-8.35 |
Dipole, Da: |
2.84 |
IP(EA), eV: |
-9.15(-0.93) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-5-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinolin-6-yl]-2,6-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid