Geometry & MOs
Info
ID: |
432254 |
PubChem CID: |
135172386 |
Reduced: |
NO3C18H25 (1) |
Stoich.: |
AB3C18D25 (1) |
Weight, g/mol: |
1019.403367 |
ΔHf, kcal/mol: |
-65.63 |
Dipole, Da: |
2.98 |
IP(EA), eV: |
-8.76(-0.2) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,4R)-1-[(2S)-2-[3-[2-[2-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxyethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide