Geometry & MOs

Info

ID:

190867

PubChem CID:

78070127

Reduced:

NaS2N3O6C30H30 (1)

Stoich.:

AB2C3D6E30F30 (1)

Weight, g/mol:

705.194323

ΔHf, kcal/mol:

-171.76

Dipole, Da:

6.48

IP(EA), eV:

 -8.08(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;3-[4-[(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-[4-[ethyl-(2-sulfobenzene-3-id-1-yl)amino]phenyl]methyl]-N-ethylanilino]benzenesulfonate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[NH+]CC3=CC(=CC=C3)S(=O)(=O)[O-])[C-]=C2S(=O)(=O)O)C4=CC=C(C=C4)N(C)C.[Na+]

DOS

IR

Vibrations