Geometry & MOs
Info
ID: |
232263 |
PubChem CID: |
87575833 |
Reduced: |
AlNC4H11 (1) |
Stoich.: |
ABC4D11 (1) |
Weight, g/mol: |
742.140659 |
ΔHf, kcal/mol: |
19.14 |
Dipole, Da: |
1.39 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.757062 |
Charge, e: |
0 |
Chem-info
IUPAC name:
aminomethylidene-[3-[2-carboxy-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluoro-3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]phenyl]propyl]azanium;2,2,2-trifluoroacetate