Geometry & MOs

Info

ID:

439580

PubChem CID:

135229356

Reduced:

O2S2N5H23C26 (1)

Stoich.:

A2B2C5D23E26 (1)

Weight, g/mol:

589.229366

ΔHf, kcal/mol:

97.4

Dipole, Da:

5.93

IP(EA), eV:

 -9.16(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[3-(2-methylpyridin-4-yl)-1H-indazol-5-yl]-2-methylsulfanyl-2-[1-[2-oxo-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

C=C([C@@H]1CN(C2=C(CN1S(=O)(=O)C3=CC=CS3)C=C(C=C2)C#N)CC4=CN=CN4)C5=CC=CC=C5

DOS

IR

Vibrations