Geometry & MOs

Info

ID:	333230
PubChem CID:	127251778
Reduced:	FSO3N6C19H19 (1)
Stoich.:	ABC3D6E19F19 (1)
Weight, g/mol:	426.14741
ΔH_f, kcal/mol:	-53.97
Dipole, Da:	3.8
IP(EA), eV:	-9.04(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2CCOC(C2)C3=CN=CC(=N3)NC4=NC=CC=N4)F

DOS

IR

Vibrations