Geometry & MOs

Info

ID:

190865

PubChem CID:

78070125

Reduced:

NaS2N3O7H28C29 (1)

Stoich.:

AB2C3D7E28F29 (1)

Weight, g/mol:

673.189237

ΔHf, kcal/mol:

-182.73

Dipole, Da:

23.25

IP(EA), eV:

 -8.11(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;2-[4-[[4-(4-ethoxyanilino)phenyl]-[3-methyl-4-(2-sulfoethylazaniumylidene)cyclohexa-2,5-dien-1-ylidene]methyl]-2-methylanilino]ethanesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N)C)C(=C2C=CC(=[NH+]C3=C([C-]=C(C=C3)O)S(=O)(=O)O)C(=C2)S(=O)(=O)[O-])C4=CC(=C(C(=C4)C)N)C.[Na+]

DOS

IR

Vibrations