Geometry & MOs

Info

ID:

447797

PubChem CID:

135285838

Reduced:

FNO2C20H22 (2)

Stoich.:

ABC2D20E22 (2)

Weight, g/mol:

619.254558

ΔHf, kcal/mol:

-228.57

Dipole, Da:

3.29

IP(EA), eV:

 -8.82(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(4,4-difluoro-2,3-dihydrochromen-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(=CC=C1)F)CN2CCC3=C(C2)C=CC(=C3)C4=C(N=C(C(=C4C5=CC(=C6C(=C5C)CCCO6)F)C(C(=O)O)OC(C)(C)C)C)C

DOS

IR

Vibrations