Geometry & MOs

Info

ID:	136423
PubChem CID:	52039824
Reduced:	ClFO2N5H15C21 (1)
Stoich.:	ABC2D5E15F21 (1)
Weight, g/mol:	417.125946
ΔH_f, kcal/mol:	9.86
Dipole, Da:	3.08
IP(EA), eV:	-9.86(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(5-methylpyrazol-1-yl)pyrimidin-4-yl]oxy-N-(2-methylsulfanylphenyl)benzamide

Drug info:

PubChemData

Smile

C1=CN(N=C1)C2=CC(=NC=N2)OC3=CC=C(C=C3)C(=O)NCC4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations