Geometry & MOs
Info
ID: |
322819 |
PubChem CID: |
126671262 |
Reduced: |
ClFSH10C12 (1) |
Stoich.: |
ABCD10E12 (1) |
Weight, g/mol: |
1047.370229 |
ΔHf, kcal/mol: |
-17.0 |
Dipole, Da: |
1.25 |
IP(EA), eV: |
-9.03(-0.82) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,4R)-1-[2-[[(E)-3-[3-[(2R)-1-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]propan-2-yl]oxy-5-fluorophenyl]prop-2-enoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide