Geometry & MOs
Info
ID: |
322822 |
PubChem CID: |
126671266 |
Reduced: |
ClSN2H7C9 (1) |
Stoich.: |
ABC2D7E9 (1) |
Weight, g/mol: |
1009.318193 |
ΔHf, kcal/mol: |
53.86 |
Dipole, Da: |
1.59 |
IP(EA), eV: |
-9.22(-1.23) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,4R)-1-[2-[[2-[3-[3-[[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]cyclobutyl]oxy-5-fluorophenoxy]-1-hydroxyethyl]amino]acetyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide