Geometry & MOs

Info

ID:

432808

PubChem CID:

135172945

Reduced:

F2N10O19C57H72 (1)

Stoich.:

A2B10C19D57E72 (1)

Weight, g/mol:

363.22972

ΔHf, kcal/mol:

-889.73

Dipole, Da:

11.05

IP(EA), eV:

 -9.05(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

1-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-4-N,4-N-diethylbenzene-1,4-diamine

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCN([C@@H](C1=CC(=CN1CC2=CC=CC=C2)C3=C(C=CC(=C3)F)F)C(C)(C)C)C(=O)CO)C(=O)NCCC(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=O)CCCC(=O)ON4C(=O)CCC4=O

DOS

IR

Vibrations