Geometry & MOs

Info

ID:

447802

PubChem CID:

135285865

Reduced:

O4N6C37H40 (1)

Stoich.:

A4B6C37D40 (1)

Weight, g/mol:

583.273401

ΔHf, kcal/mol:

-64.5

Dipole, Da:

3.7

IP(EA), eV:

 -8.65(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(3,4-dihydro-2H-chromen-6-yl)-5-[4-[2-(2-fluorophenyl)ethoxy]phenyl]-2,6-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C(C(=O)O)OC(C)(C)C)C2=CC3=C(C=C2)OCCC3)C4=CC5=C(CN(CC5)C6=NC=NC7=C6C=NN7C)C=C4

DOS

IR

Vibrations