Geometry & MOs

Info

ID:	162831
PubChem CID:	57571073
Reduced:	O3N6C22H32 (1)
Stoich.:	A3B6C22D32 (1)
Weight, g/mol:	486.184938
ΔH_f, kcal/mol:	-88.29
Dipole, Da:	3.2
IP(EA), eV:	-9.08(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluoro-4-methylsulfonylphenyl)-6-[4-(5-propan-2-yloxypyridin-2-yl)piperazin-1-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2)N(C)C3=C4CCCCC4=NN3C

DOS

IR

Vibrations