Geometry & MOs

Info

ID:	243059
PubChem CID:	99215332
Reduced:	FSN3O3C22H24 (1)
Stoich.:	ABC3D3E22F24 (1)
Weight, g/mol:	410.215176
ΔH_f, kcal/mol:	-87.27
Dipole, Da:	5.64
IP(EA), eV:	-9.32(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(dipropylsulfamoyl)-3-[5-(3-fluorophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)CCCN(C)S(=O)(=O)C2=CC3=C(C=C2)OCC3)C4=CC(=CC=C4)F

DOS

IR

Vibrations