Geometry & MOs

Info

ID:

310077

PubChem CID:

126573852

Reduced:

FN2O4C37H47 (1)

Stoich.:

AB2C4D37E47 (1)

Weight, g/mol:

674.373116

ΔHf, kcal/mol:

-198.55

Dipole, Da:

7.11

IP(EA), eV:

 -8.37(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4-(7-azaspiro[3.5]nonan-7-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2-methyl-6-(oxan-4-yloxymethyl)pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)[C@@H](C(=O)O)OC(C)(C)C)N2CCC3(C2)CCCCCC3)C4=CC=C(C=C4)OCCC5=CC=C(C=C5)F

DOS

IR

Vibrations