Geometry & MOs

Info

ID:

442919

PubChem CID:

135256882

Reduced:

FO2N9H18C26 (1)

Stoich.:

AB2C9D18E26 (1)

Weight, g/mol:

549.169542

ΔHf, kcal/mol:

122.26

Dipole, Da:

4.27

IP(EA), eV:

 -9.18(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[(5-cyano-1,2-thiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-methoxypyridin-3-yl)pyridin-3-yl]ethyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC(=C(N=C2)C(=O)NCC3=CN=C(C=C3)C4=CC=CC=C4)F)NC5=NOC(=N5)C#N

DOS

IR

Vibrations