Geometry & MOs
Info
ID: |
327610 |
PubChem CID: |
126690517 |
Reduced: |
SC6H6 (2) |
Stoich.: |
AB6C6 (2) |
Weight, g/mol: |
1320.439138 |
ΔHf, kcal/mol: |
40.57 |
Dipole, Da: |
3.04 |
IP(EA), eV: |
-8.28(-1.3) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[[4-[3-[4-[[4-[2-[4-[carboxymethyl-[[4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]carbamoyl]anilino]-2-oxoethyl]-3-(trifluoromethyl)phenoxy]methyl]cyclohexyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid