Geometry & MOs

Info

ID:	80575
PubChem CID:	49835225
Reduced:	FN9H16C20 (1)
Stoich.:	AB9C16D20 (1)
Weight, g/mol:	466.169957
ΔH_f, kcal/mol:	136.57
Dipole, Da:	6.57
IP(EA), eV:	-8.36(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-fluorophenyl)methylsulfanyl]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC2=CC=CC=C2F)C3=C(N=C4N3N=CC=C4)NC5=CC=NN5

DOS

IR

Vibrations