Geometry & MOs

Info

ID:

447798

PubChem CID:

135285850

Reduced:

NF3O5C36H36 (1)

Stoich.:

AB3C5D36E36 (1)

Weight, g/mol:

514.283158

ΔHf, kcal/mol:

-309.96

Dipole, Da:

8.0

IP(EA), eV:

 -8.87(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,6-dimethyl-5-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyridin-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(F)F)C4=CC=C(C=C4)OCCC5=CC=C(C=C5)F

DOS

IR

Vibrations