Geometry & MOs

Info

ID:

311287

PubChem CID:

126590240

Reduced:

FSN6O6C33H33 (1)

Stoich.:

ABC6D6E33F33 (1)

Weight, g/mol:

627.383621

ΔHf, kcal/mol:

-157.63

Dipole, Da:

5.7

IP(EA), eV:

 -8.92(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(7-azaspiro[3.5]nonan-7-yl)-6-[[cyclohexylmethyl(methyl)amino]methyl]-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2-methylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)CC(=O)NC2=CC(=C(C=C2)OC3=CC=NC4C3SC(=C4)C5=CN(C(=O)N=C5)CCN6CCOCC6)F

DOS

IR

Vibrations