Geometry & MOs

Info

ID:

436625

PubChem CID:

135206245

Reduced:

FNO2C13H17 (2)

Stoich.:

ABC2D13E17 (2)

Weight, g/mol:

601.349127

ΔHf, kcal/mol:

-250.78

Dipole, Da:

6.0

IP(EA), eV:

 -9.14(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[6-(7-azaspiro[3.5]nonan-7-ylmethyl)-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-(3,4,5-trifluorophenyl)pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1C(C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)C3=C(C(=C(C=C3)F)OC)F

DOS

IR

Vibrations