Geometry & MOs

Info

ID:	55443
PubChem CID:	17395403
Reduced:	F2N2O3H14C19 (1)
Stoich.:	A2B2C3D14E19 (1)
Weight, g/mol:	374.113413
ΔH_f, kcal/mol:	-136.77
Dipole, Da:	5.09
IP(EA), eV:	-9.24(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butylsulfanyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NC(=O)C3=CC(=CC(=C3)F)F

DOS

IR

Vibrations