Geometry & MOs

Info

ID:

425973

PubChem CID:

135134030

Reduced:

FN5O6C27H33 (2)

Stoich.:

AB5C6D27E33 (2)

Weight, g/mol:

1125.841918

ΔHf, kcal/mol:

-523.74

Dipole, Da:

7.2

IP(EA), eV:

 -9.14(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 4

Chem-info

IUPAC name:

3-[4-[4-amino-5-[4-[3-[[4-[4-[3-(dimethylamino)propyl-[3-(trimethylazaniumyl)propyl]amino]anilino]-5-hydroxy-2-[4-[3-(trimethylazaniumyl)propylamino]anilino]anilino]methyl-dimethylazaniumyl]propylamino]anilino]-2-hydroxyanilino]anilino]propyl-trimethylazanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)[C@@H](C)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)NCCCC(=O)ON4C(=O)CCC4=O)NC(=O)CC5=CC=NC=C5

DOS

IR

Vibrations