Geometry & MOs
Info
ID: |
320118 |
PubChem CID: |
126658324 |
Reduced: |
FN3O3C16H16 (1) |
Stoich.: |
AB3C3D16E16 (1) |
Weight, g/mol: |
1002.529136 |
ΔHf, kcal/mol: |
-72.36 |
Dipole, Da: |
4.44 |
IP(EA), eV: |
-9.34(-0.82) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl N-[1-[(3S)-3-[6-[(2R,5R)-1-(3,5-difluoro-4-piperidin-1-ylphenyl)-5-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate