Geometry & MOs

Info

ID:

447795

PubChem CID:

135285830

Reduced:

FN3O5C46H56 (1)

Stoich.:

AB3C5D46E56 (1)

Weight, g/mol:

640.311264

ΔHf, kcal/mol:

-217.99

Dipole, Da:

6.82

IP(EA), eV:

 -8.43(-0.4)

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-[(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(C(=C(N=C4CN(C)CC5CCOCC5)C)C(C(=O)O)OC(C)(C)C)C6=CC7=C(C=C6)OCCC7

DOS

IR

Vibrations