Geometry & MOs

Info

ID:

448326

PubChem CID:

135290150

Reduced:

N2F3O5H23C26 (1)

Stoich.:

A2B3C5D23E26 (1)

Weight, g/mol:

504.226037

ΔHf, kcal/mol:

-283.26

Dipole, Da:

14.65

IP(EA), eV:

 -9.2(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(3-methoxypropoxy)-3,3-dimethyl-15-oxo-5-phenylmethoxy-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-16-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCC2N1N3C=C(C(=O)C=C3C4=CC(=C(C=C24)OCC5=CC=CC=C5)OC(F)(F)F)C(=O)O)C

DOS

IR

Vibrations