Geometry & MOs
Info
ID: |
432290 |
PubChem CID: |
135172423 |
Reduced: |
NO2C21H37 (1) |
Stoich.: |
AB2C21D37 (1) |
Weight, g/mol: |
1245.640895 |
ΔHf, kcal/mol: |
-127.78 |
Dipole, Da: |
3.47 |
IP(EA), eV: |
-8.67(0.08) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
1-[3-[2-[(1S,4S)-5-[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]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]-4-[[[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carbonyl]amino]methyl]phenyl]ethenyl N-ethylmethanimidothioate