Geometry & MOs

Info

ID:

447796

PubChem CID:

135285833

Reduced:

F2N2O4C39H42 (1)

Stoich.:

A2B2C4D39E42 (1)

Weight, g/mol:

654.326914

ΔHf, kcal/mol:

-219.95

Dipole, Da:

3.85

IP(EA), eV:

 -8.75(-0.36)

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-[2-[(2-fluoro-6-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(=CC=C1)F)CN2CCC3=C(C2)C=CC(=C3)C4=C(N=C(C(=C4C5=CC6=C(C(=C5)F)OCCC6)C(C(=O)O)OC(C)(C)C)C)C

DOS

IR

Vibrations