Geometry & MOs

Info

ID:

442881

PubChem CID:

135256710

Reduced:

OF2N10H24C28 (1)

Stoich.:

AB2C10D24E28 (1)

Weight, g/mol:

488.170922

ΔHf, kcal/mol:

67.5

Dipole, Da:

7.45

IP(EA), eV:

 -8.39(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[(5-cyano-1,2-oxazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[(6-phenylpyridin-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=C(C=C4)F)C)F)NC5=C/C(=C/NC)/N=N5

DOS

IR

Vibrations