Geometry & MOs

Info

ID:

7574

PubChem CID:

73436

Reduced:

SNa2N6O7H24C31 (1)

Stoich.:

AB2C6D7E24F31 (1)

Weight, g/mol:

670.122257

ΔHf, kcal/mol:

-86.5

Dipole, Da:

46.81

IP(EA), eV:

 -6.7(-2.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;2-hydroxy-5-[[2-methyl-4-[3-methyl-4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]phenyl]diazenyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)[O-])C)N=NC4C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)[O-])C.[Na+].[Na+]

DOS

IR

Vibrations