Geometry & MOs

Info

ID:

310088

PubChem CID:

126574143

Reduced:

FN2O4C36H45 (1)

Stoich.:

AB2C4D36E45 (1)

Weight, g/mol:

694.27815

ΔHf, kcal/mol:

-195.39

Dipole, Da:

6.15

IP(EA), eV:

 -8.52(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[4-(7-azaspiro[3.5]nonan-7-yl)-6-(bromomethyl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C(C(=O)O)OC(C)(C)C)N2CCCC3(C2)CCCC3)C4=CC=C(C=C4)OCCC5=CC=C(C=C5)F

DOS

IR

Vibrations