Geometry & MOs

Info

ID:	28646
PubChem CID:	828751
Reduced:	SN3O4H11C16 (1)
Stoich.:	AB3C4D11E16 (1)
Weight, g/mol:	316.13872
ΔH_f, kcal/mol:	-60.01
Dipole, Da:	8.22
IP(EA), eV:	-9.72(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations