Geometry & MOs

Info

ID:	123266
PubChem CID:	50840007
Reduced:	F2N2S3O4H14C16 (1)
Stoich.:	A2B2C3D4E14F16 (1)
Weight, g/mol:	487.084733
ΔH_f, kcal/mol:	-178.12
Dipole, Da:	7.81
IP(EA), eV:	-9.28(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole

Drug info:

PubChemData

Smile

CCCS(=O)(=O)C1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations