Geometry & MOs

Info

ID:	162833
PubChem CID:	57571081
Reduced:	O3N5C24H33 (1)
Stoich.:	A3B5C24D33 (1)
Weight, g/mol:	501.184604
ΔH_f, kcal/mol:	-104.65
Dipole, Da:	4.46
IP(EA), eV:	-8.18(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2)NC3=CC=C(C=C3)N4CCCCC4

DOS

IR

Vibrations