Geometry & MOs
Info
ID: |
150600 |
PubChem CID: |
53790293 |
Reduced: |
ON3C20H33 (1) |
Stoich.: |
AB3C20D33 (1) |
Weight, g/mol: |
3956.023911 |
ΔHf, kcal/mol: |
-27.15 |
Dipole, Da: |
1.76 |
IP(EA), eV: |
-8.66(0.66) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
hexadecyl 3-[[2-[2-(adamantane-1-carbonylamino)-4-ethylsulfonylphenoxy]-3-oxobutanoyl]amino]-4-chlorobenzoate;hexadecyl 4-chloro-3-[[2-[2-(2,2-dimethylbutanoylamino)-4-ethylsulfonylphenoxy]-3-oxobutanoyl]amino]benzoate;hexadecyl 4-chloro-3-[[2-[4-ethylsulfonyl-2-[(1-methylcyclohexanecarbonyl)amino]phenoxy]-3-oxobutanoyl]amino]benzoate;hexadecyl 4-chloro-3-[[2-[4-methylsulfonyl-2-(2,2,3,3-tetramethylbutanoylamino)phenoxy]-3-oxobutanoyl]amino]benzoate;hexadecyl 3-[[2-[2-(2,2-dimethylpropanoylamino)-4-ethylsulfonylphenoxy]-3-oxobutanoyl]amino]-4-methylbenzoate