Geometry & MOs

Info

ID:	223628
PubChem CID:	85335332
Reduced:	N7C28H29 (1)
Stoich.:	A7B28C29 (1)
Weight, g/mol:	463.074655
ΔH_f, kcal/mol:	150.05
Dipole, Da:	7.16
IP(EA), eV:	-8.72(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxy-6-fluorophenyl]-2-methoxyiminoacetate

Drug info:

PubChemData

Smile

CC(CNC1=NC(=C(C2=NN=CN21)C3=CC4=CC=CC=C4C=C3)C5=CC=NC=C5)CN6CCCC6

DOS

IR

Vibrations