Geometry & MOs

Info

ID:

442916

PubChem CID:

135256869

Reduced:

FO2N10H21C27 (1)

Stoich.:

AB2C10D21E27 (1)

Weight, g/mol:

537.149556

ΔHf, kcal/mol:

111.76

Dipole, Da:

4.78

IP(EA), eV:

 -9.73(-1.89)

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-[[6-(5-fluoro-2-methylpyridin-3-yl)pyridin-3-yl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations