Geometry & MOs
Info
ID: |
431570 |
PubChem CID: |
135171658 |
Reduced: |
NOC13H25 (1) |
Stoich.: |
ABC13D25 (1) |
Weight, g/mol: |
793.22437 |
ΔHf, kcal/mol: |
-81.23 |
Dipole, Da: |
4.07 |
IP(EA), eV: |
-9.53(1.24) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,4R)-1-[2-[3-acetyl-6-(diethoxyphosphorylmethoxy)-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide