Geometry & MOs

Info

ID:

447799

PubChem CID:

135285858

Reduced:

NO2C16H19 (2)

Stoich.:

AB2C16D19 (2)

Weight, g/mol:

640.311264

ΔHf, kcal/mol:

-143.5

Dipole, Da:

3.89

IP(EA), eV:

 -8.6(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)-5-[2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-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)C)C=C4

DOS

IR

Vibrations