Geometry & MOs

Info

ID:

296818

PubChem CID:

117594721

Reduced:

ClO12C58H91 (1)

Stoich.:

AB12C58D91 (1)

Weight, g/mol:

520.162581

ΔHf, kcal/mol:

-589.65

Dipole, Da:

1.44

IP(EA), eV:

 -9.42(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-acetamidophenyl) 2-hydroxybenzoate;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl.CC(=O)OCC(CC(CCCCCCCCCCCC=C)O)O.CC(=O)OCC(CC(CCCCCCCCCCCC#C)O)O

DOS

IR

Vibrations