Geometry & MOs

Info

ID:	196310
PubChem CID:	78810188
Reduced:	OCl2N4H14C16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	442.117413
ΔH_f, kcal/mol:	29.12
Dipole, Da:	2.23
IP(EA), eV:	-9.3(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C1=CC2=NN=C(N2C=C1)CCNC(=O)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations