Geometry & MOs
Info
ID: |
124975 |
PubChem CID: |
50905888 |
Reduced: |
BrNO2C8H14 (1) |
Stoich.: |
ABC2D8E14 (1) |
Weight, g/mol: |
1387.905425 |
ΔHf, kcal/mol: |
-39.36 |
Dipole, Da: |
5.56 |
IP(EA), eV: |
-10.77(-0.75) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[[(3S,6S,9S,12S,15S,18R,21S,24S,27S,30S,33R)-3-ethyl-30-(hydroxymethyl)-6-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-7,10,13,16,18,21,25,31-octamethyl-12,15,24-tris(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-9,27-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontan-35-yl]oxy]ethyl 4-methylpiperazine-1-carboxylate