Geometry & MOs

Info

ID:	243060
PubChem CID:	99215336
Reduced:	FSO2N4C20H31 (1)
Stoich.:	ABC2D4E20F31 (1)
Weight, g/mol:	396.199526
ΔH_f, kcal/mol:	-94.42
Dipole, Da:	3.78
IP(EA), eV:	-9.32(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-(3-fluorophenyl)-1-methylpyrazol-3-yl]propyl-methylsulfamoyl]-N-methylbutan-1-amine

Drug info:

PubChemData

Smile

CCCN(CCC)S(=O)(=O)N(C)CCCC1=NN(C(=C1)C2=CC(=CC=C2)F)C

DOS

IR

Vibrations