Geometry & MOs

Info

ID:

310091

PubChem CID:

126574176

Reduced:

FN3O6C39H50 (1)

Stoich.:

AB3C6D39E50 (1)

Weight, g/mol:

590.315601

ΔHf, kcal/mol:

-286.02

Dipole, Da:

6.81

IP(EA), eV:

 -8.46(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2,6-dimethyl-4-(1-oxa-8-azaspiro[4.5]decan-8-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)OC(C)C)OC(C)(C)C)N2CCC3(CC2)CCN(C3)C(=O)O)C4=CC=C(C=C4)OCCC5=CC=C(C=C5)F

DOS

IR

Vibrations