Geometry & MOs

Info

ID:

14490

PubChem CID:

413163

Reduced:

S2N6O12H20C25 (1)

Stoich.:

A2B6C12D20E25 (1)

Weight, g/mol:

660.058062

ΔHf, kcal/mol:

-156.91

Dipole, Da:

5.72

IP(EA), eV:

 -8.45(-2.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[3-(dihydroxyamino)-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylideneamino]-4-oxonaphthalene-2,7-disulfonic acid

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C=NC2=CC(=CC3=C2C(=O)C(=NN=C4C=C(C=C(C4=O)[N+](=O)[O-])N(O)O)C(=C3)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations