Geometry & MOs

Info

ID:

186636

PubChem CID:

77458010

Reduced:

OSCl2F3N6H19C26 (1)

Stoich.:

ABC2D3E6F19G26 (1)

Weight, g/mol:

743.285206

ΔHf, kcal/mol:

-38.4

Dipole, Da:

4.25

IP(EA), eV:

 -8.44(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[4-hydroxy-1-[3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]phenoxy]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1CSC(=NN=CC2=CC=C(C=C2)C3=NN(C=N3)C4=CC=C(C=C4)OC(F)(F)F)N1C5=C(C=CC=C5Cl)Cl

DOS

IR

Vibrations