Geometry & MOs
Info
ID: |
432343 |
PubChem CID: |
135172476 |
Reduced: |
ClNO4C12H22 (1) |
Stoich.: |
ABC4D12E22 (1) |
Weight, g/mol: |
801.348611 |
ΔHf, kcal/mol: |
-226.48 |
Dipole, Da: |
6.69 |
IP(EA), eV: |
-10.48(0.62) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-[5-[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]-1,3-dioxoisoindol-2-yl]-6-oxopiperidine-3-carbaldehyde