Geometry & MOs

Info

ID:

168181

PubChem CID:

74933778

Reduced:

ClN3O5C27H54 (1)

Stoich.:

AB3C5D27E54 (1)

Weight, g/mol:

1109.054317

ΔHf, kcal/mol:

-359.95

Dipole, Da:

2.02

IP(EA), eV:

 -9.96(0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[6-hydroxy-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazinylidene]-4-oxocyclohexa-1,5-dien-1-yl]diazenyl]-4-oxo-3-[[6-sulfo-4-[(4-sulfophenyl)diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-2,7-disulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)N.Cl

DOS

IR

Vibrations