Geometry & MOs

Info

ID:

442894

PubChem CID:

135256789

Reduced:

ON7H25C31 (1)

Stoich.:

AB7C25D31 (1)

Weight, g/mol:

540.183378

ΔHf, kcal/mol:

133.7

Dipole, Da:

10.21

IP(EA), eV:

 -9.28(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-fluoro-N-[[6-(5-fluoro-2-methylpyridin-3-yl)pyridin-3-yl]methyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]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=CC=CC=C4)NC5=CC=CC(=C5)C#N

DOS

IR

Vibrations