Geometry & MOs

Info

ID:

298367

PubChem CID:

117648676

Reduced:

SN3O5C12H13 (2)

Stoich.:

AB3C5D12E13 (2)

Weight, g/mol:

592.104619

ΔHf, kcal/mol:

-276.4

Dipole, Da:

1.7

IP(EA), eV:

 -9.3(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4-diamino-3-[[5-(2-hydroxyethylsulfonyl)-2-(hydroxymethyl)phenyl]diazenyl]-5-[(2-methoxycarbonylphenyl)diazenyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)N=NC2=C(C(=CC(=C2N)S(=O)(=O)O)N=NC3=CC=CC=C3C(=O)OC)N)CO)S(=O)(=O)CCO

DOS

IR

Vibrations