Geometry & MOs
Info
ID: |
445551 |
PubChem CID: |
135267957 |
Reduced: |
FC11H23 (1) |
Stoich.: |
AB11C23 (1) |
Weight, g/mol: |
639.256306 |
ΔHf, kcal/mol: |
-108.22 |
Dipole, Da: |
1.93 |
IP(EA), eV: |
-10.77(3.33) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[3-[[(E)-2-[(Z)-[[(8Z,10Z)-4-(dimethylsulfamoyl)-8-methoxy-1,4,7-triazacyclododeca-8,10,12-trien-9-yl]amino]methyliminomethyl]-3,3,3-trifluoro-1-(methylideneamino)prop-1-enyl]amino]phenyl]prop-2-enamide