Geometry & MOs

Info

ID:

442913

PubChem CID:

135256865

Reduced:

OF2N10H20C27 (1)

Stoich.:

AB2C10D20E27 (1)

Weight, g/mol:

538.178962

ΔHf, kcal/mol:

77.77

Dipole, Da:

8.37

IP(EA), eV:

 -9.44(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(6-fluoro-2-methylpyridin-3-yl)pyridin-3-yl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC(=C(N=C2)C(=O)NCC3=CN=C(C=C3)C4=C(N=CC(=C4)F)C)F)NC5=NNC(=C5)C#N

DOS

IR

Vibrations