Geometry & MOs

Info

ID:	162822
PubChem CID:	57571018
Reduced:	FSO4N5C24H28 (1)
Stoich.:	ABC4D5E24F28 (1)
Weight, g/mol:	475.180187
ΔH_f, kcal/mol:	-133.18
Dipole, Da:	11.1
IP(EA), eV:	-8.72(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2-fluoro-4-methylsulfonylphenyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)OC1=CN=C(C=C1)OC2CCN(CC2)C3=NC=NC(=C3)NC4=C(C=C(C=C4)S(=O)(=O)C)F

DOS

IR

Vibrations