Geometry & MOs
Info
ID: |
444850 |
PubChem CID: |
135263749 |
Reduced: |
N2O2C13H22 (1) |
Stoich.: |
A2B2C13D22 (1) |
Weight, g/mol: |
992.340119 |
ΔHf, kcal/mol: |
-79.37 |
Dipole, Da: |
1.4 |
IP(EA), eV: |
-8.38(0.26) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,4R)-1-[(2S)-2-[[2-[4-[1-[2-[4-[[2-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenoxy]ethyl]pyrazol-3-yl]phenyl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide