Geometry & MOs

Info

ID:	333229
PubChem CID:	127251777
Reduced:	O3N6C21H22 (1)
Stoich.:	A3B6C21D22 (1)
Weight, g/mol:	430.122338
ΔH_f, kcal/mol:	-6.89
Dipole, Da:	1.83
IP(EA), eV:	-9.12(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations