Geometry & MOs

Info

ID:

224122

PubChem CID:

85338472

Reduced:

SNa2N6O8H20C29 (1)

Stoich.:

AB2C6D8E20F29 (1)

Weight, g/mol:

659.173596

ΔHf, kcal/mol:

-145.18

Dipole, Da:

20.73

IP(EA), eV:

 -6.71(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[amino-[2-(cyclohexylmethylsulfonylamino)anilino]methylidene]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=CN(N=C3C(=O)O)C4=CC=C(C=C4)S(=O)(=O)O)NN=C5C=CC(=O)C(=C5)C(=O)O.[Na+].[Na+]

DOS

IR

Vibrations