Geometry & MOs

Info

ID:

169211

PubChem CID:

75075839

Reduced:

NO3C20H23 (1)

Stoich.:

AB3C20D23 (1)

Weight, g/mol:

588.109932

ΔHf, kcal/mol:

-31.19

Dipole, Da:

7.92

IP(EA), eV:

 -10.53(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

potassium;methyl 7-acetyloxy-9-methyl-9-[4-methyl-5-oxo-5-(1,3-thiazol-2-ylamino)penta-1,3-dienyl]-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylate;chloride

Drug info:

PubChemData

Smile

CC(C)C1CCC2(C=C(C(=O)C=C2C1(C)CCC(=O)O)C#N)C#C

DOS

IR

Vibrations