Geometry & MOs

Info

ID:	331128
PubChem CID:	127248535
Reduced:	FSN3O4C22H24 (1)
Stoich.:	ABC3D4E22F24 (1)
Weight, g/mol:	445.147156
ΔH_f, kcal/mol:	-114.72
Dipole, Da:	6.29
IP(EA), eV:	-9.11(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)S(=O)(=O)C3=CC=CC=C3)CCOC4=CC=C(C=C4)F

DOS

IR

Vibrations