Geometry & MOs

Info

ID:

447106

PubChem CID:

135280328

Reduced:

N3O3H19C23 (1)

Stoich.:

A3B3C19D23 (1)

Weight, g/mol:

988.305687

ΔHf, kcal/mol:

-4.96

Dipole, Da:

3.19

IP(EA), eV:

 -8.44(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-(2-ethylbutanoylamino)-2,4,6-trimethylanilino]-6-[3-(2-ethylbutanoylamino)-2,4,6-trimethylphenyl]imino-9-(2-sulfophenyl)xanthene-2,7-disulfonic acid

Drug info:

PubChemData

Smile

C=CC(=O)N1CC(C1)N2C=C3C=CC(=CN3C2=O)C4=CC(=CC5=CC=CC=C54)O

DOS

IR

Vibrations