Geometry & MOs

Info

ID:

168182

PubChem CID:

74933979

Reduced:

S5N9O15H31C46 (1)

Stoich.:

A5B9C15D31E46 (1)

Weight, g/mol:

916.106818

ΔHf, kcal/mol:

-232.27

Dipole, Da:

8.85

IP(EA), eV:

 -9.12(-2.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

lithium;potassium;sodium;7-[[4-[2-(6-amino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate;2-[bis(2-hydroxyethyl)amino]ethanol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NN=C4C=C(C(=CC4=O)O)N=NC5=CC(=CC6=C5C(=O)C(=NNC7=C8C=CC(=CC8=C(C=C7)N=NC9=CC=C(C=C9)S(=O)(=O)O)S(=O)(=O)O)C(=C6)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations