Geometry & MOs
Info
ID: |
446861 |
PubChem CID: |
135278299 |
Reduced: |
NO4C12H23 (1) |
Stoich.: |
AB4C12D23 (1) |
Weight, g/mol: |
1068.31248 |
ΔHf, kcal/mol: |
-197.98 |
Dipole, Da: |
4.92 |
IP(EA), eV: |
-9.28(0.37) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,4R)-1-[(2S)-2-[[2-[2-[4-[2-[4-[[2-(4-bromophenyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenoxy]ethyl]piperazin-1-yl]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide