Geometry & MOs

Info

ID:

9445

PubChem CID:

89597

Reduced:

Cl2O2N3H16C18 (2)

Stoich.:

A2B2C3D16E18 (2)

Weight, g/mol:

754.120964

ΔHf, kcal/mol:

-38.13

Dipole, Da:

4.53

IP(EA), eV:

 -8.64(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2,5-dichloro-4-[2,5-dichloro-4-[[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=C(C(=C2)Cl)C3=CC(=C(C=C3Cl)N=NC(C(=O)C)C(=O)NC4=C(C=C(C=C4)C)C)Cl)Cl)C

DOS

IR

Vibrations