Geometry & MOs

Info

ID:

175805

PubChem CID:

75949969

Reduced:

F2N2O4H5C11 (1)

Stoich.:

A2B2C4D5E11 (1)

Weight, g/mol:

427.144453

ΔHf, kcal/mol:

-164.1

Dipole, Da:

5.08

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.086597

Charge, e:

 0

Chem-info

IUPAC name:

9-(3-fluorophenyl)-11-(4-methoxyphenyl)-8-oxa-12,13,14,15,17-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,13,15-hexaene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)N2C(=O)C(C=NC2=O)C(=O)[O-])F

DOS

IR

Vibrations