Geometry & MOs

Info

ID:	142703
PubChem CID:	53078774
Reduced:	SO3N4C21H30 (1)
Stoich.:	AB3C4D21E30 (1)
Weight, g/mol:	438.173705
ΔH_f, kcal/mol:	-99.91
Dipole, Da:	2.3
IP(EA), eV:	-8.94(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-fluorophenoxy)ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations