Geometry & MOs
Info
ID: |
299578 |
PubChem CID: |
117688020 |
Reduced: |
ClFN3S3O5H21C24 (1) |
Stoich.: |
ABC3D3E5F21G24 (1) |
Weight, g/mol: |
862.380246 |
ΔHf, kcal/mol: |
-118.99 |
Dipole, Da: |
8.92 |
IP(EA), eV: |
-8.94(-1.47) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(1S)-2-[(1R,3S,5R)-3-[7-[2-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzo[e]benzimidazol-7-yl]ethynyl]-3H-benzo[e]benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamic acid