Geometry & MOs
Info
ID: |
432243 |
PubChem CID: |
135172375 |
Reduced: |
ION3C13H20 (1) |
Stoich.: |
ABC3D13E20 (1) |
Weight, g/mol: |
1045.509546 |
ΔHf, kcal/mol: |
-3.13 |
Dipole, Da: |
2.26 |
IP(EA), eV: |
-8.36(-1.6) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,4R)-1-[(2S)-2-[[2-[2-[2-[4-[2-[[(16E)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaen-11-yl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide