Geometry & MOs

Info

ID:

162856

PubChem CID:

57578121

Reduced:

NaSN3O6H44C51 (1)

Stoich.:

ABC3D6E44F51 (1)

Weight, g/mol:

827.302907

ΔHf, kcal/mol:

-61.25

Dipole, Da:

70.57

IP(EA), eV:

 -7.47(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-4-[[4-[bis(9,9-diethylfluoren-2-yl)amino]phenyl]methylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)/C=C\5/C(=NN(C5=O)C6=CC=C(C=C6)S(=O)(=O)[O-])C(=O)O)C7=CC8=C(C=C7)C9=CC=CC=C9C8(CC)CC)CC.[Na+]

DOS

IR

Vibrations