Geometry & MOs

Info

ID:	332727
PubChem CID:	127251037
Reduced:	FSO3N5C20H22 (1)
Stoich.:	ABC3D5E20F22 (1)
Weight, g/mol:	443.162725
ΔH_f, kcal/mol:	-71.68
Dipole, Da:	8.06
IP(EA), eV:	-9.34(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)S(=O)(=O)N2CCOC(C2)C3=NC(=CN=C3)C4=CC(=CC=C4)F

DOS

IR

Vibrations