Geometry & MOs

Info

ID:

9258

PubChem CID:

87527

Reduced:

N2S2O6H26C27 (1)

Stoich.:

A2B2C6D26E27 (1)

Weight, g/mol:

538.123229

ΔHf, kcal/mol:

-95.61

Dipole, Da:

25.94

IP(EA), eV:

 -8.84(-2.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-7-sulfonaphthalene-2-sulfonate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=C4C=CC(=CC4=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)O

DOS

IR

Vibrations