Geometry & MOs

Info

ID:	142061
PubChem CID:	52975513
Reduced:	ClSN3O4C13H18 (1)
Stoich.:	ABC3D4E13F18 (1)
Weight, g/mol:	390.129253
ΔH_f, kcal/mol:	-126.25
Dipole, Da:	3.66
IP(EA), eV:	-8.59(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-6-fluorophenyl)methyl]-4-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperazine

Drug info:

PubChemData

Smile

CC1C(C(NN1)C)S(=O)(=O)NC2=CC3=C(C=C2Cl)OCCO3

DOS

IR

Vibrations