Geometry & MOs

Info

ID:

297801

PubChem CID:

117631978

Reduced:

O5C32H40 (1)

Stoich.:

A5B32C40 (1)

Weight, g/mol:

579.267939

ΔHf, kcal/mol:

-204.74

Dipole, Da:

2.11

IP(EA), eV:

 -9.3(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[7-(4,4-dimethylpiperidin-1-yl)-2-[5-[1-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CCCCC[C@]1(C[C@@]([C@]([C@H](O1)C(CC2=CC=CC=C2)O)(CC3=CC=CC=C3)O)(CC4=CC=CC=C4)O)O

DOS

IR

Vibrations