Geometry & MOs

Info

ID:

53518

PubChem CID:

14716429

Reduced:

N3O5C42H51 (1)

Stoich.:

A3B5C42D51 (1)

Weight, g/mol:

646.300264

ΔHf, kcal/mol:

-145.4

Dipole, Da:

4.03

IP(EA), eV:

 -8.32(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[1-hydroxy-4-[4-(hydroxymethyl)-2-(4-nitrophenyl)-5-undecylpyrazol-3-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=C(C(=NN4C5=CC=CC=C5)C)CO)O

DOS

IR

Vibrations