Geometry & MOs

Info

ID:

437228

PubChem CID:

135216341

Reduced:

SN2F4O7C37H46 (1)

Stoich.:

AB2C4D7E37F46 (1)

Weight, g/mol:

411.252192

ΔHf, kcal/mol:

-476.52

Dipole, Da:

8.84

IP(EA), eV:

 -8.85(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-(6-butoxypyridin-3-yl)-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)OS(=O)(=O)C(F)(F)F)C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F)N4CCC(CC4)(C)C)[C@@H](C(=O)OC(C)C)OC(C)(C)C

DOS

IR

Vibrations