Geometry & MOs

Info

ID:

442867

PubChem CID:

135256691

Reduced:

FO2N8H27C30 (1)

Stoich.:

AB2C8D27E30 (1)

Weight, g/mol:

549.183713

ΔHf, kcal/mol:

3.94

Dipole, Da:

9.17

IP(EA), eV:

 -9.47(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(=O)NCC2=CN=C(C=C2)C3=C(N=CC(=C3)F)C)C4=NC(=CC(=N4)NC5=CC(=O)N(C=C5)C)C

DOS

IR

Vibrations