Geometry & MOs

Info

ID:

180140

PubChem CID:

76583906

Reduced:

ClN2O2C18H23 (1)

Stoich.:

AB2C2D18E23 (1)

Weight, g/mol:

1090.138381

ΔHf, kcal/mol:

-46.3

Dipole, Da:

8.53

IP(EA), eV:

 -9.06(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-3-[[4-[[4-[[2-amino-4-(diethylamino)-5-methoxyphenyl]diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-5-oxo-7-(trioxidanylsulfanyl)-6-[[4-[2-(trioxidanylsulfanyloxy)ethylsulfonyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

CCCCN1CCC(CC1)OC2=CC3=CC=NC(=O)C3=CC2Cl

DOS

IR

Vibrations