Geometry & MOs

Info

ID:

312018

PubChem CID:

126601893

Reduced:

BrN2O4C24H31 (1)

Stoich.:

AB2C4D24E31 (1)

Weight, g/mol:

615.27963

ΔHf, kcal/mol:

-168.93

Dipole, Da:

3.76

IP(EA), eV:

 -8.38(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-[4-[2-(4-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)N)Br)C2=CC3=C(C=C2)OCCC3)C(C(=O)OC(C)C)OC(C)(C)C

DOS

IR

Vibrations