Geometry & MOs

Info

ID:

190866

PubChem CID:

78070126

Reduced:

NaS2N3O7C33H36 (1)

Stoich.:

AB2C3D7E33F36 (1)

Weight, g/mol:

615.147372

ΔHf, kcal/mol:

-127.61

Dipole, Da:

36.39

IP(EA), eV:

 -8.16(-2.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;3-[[4-[bis[4-(dimethylamino)phenyl]methylidene]-3-sulfocyclohexa-2,5-dien-1-ylidene]azaniumylmethyl]benzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC2=CC=C(C=C2)C(=C3C=CC(=[NH+]C[CH-]S(=O)(=O)O)C(=C3)C)C4=CC(=C(C=C4)NCCS(=O)(=O)[O-])C.[Na+]

DOS

IR

Vibrations