Geometry & MOs
Info
ID: |
320637 |
PubChem CID: |
126662239 |
Reduced: |
ClNF2O2C18H18 (1) |
Stoich.: |
ABC2D2E18F18 (1) |
Weight, g/mol: |
603.160613 |
ΔHf, kcal/mol: |
-141.76 |
Dipole, Da: |
4.58 |
IP(EA), eV: |
-8.17(-0.51) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-[6-[(E)-2-(2-chloro-6-fluorophenyl)prop-1-enyl]-4-[(2-ethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)sulfonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]propanoic acid