Geometry & MOs

Info

ID:	360782
PubChem CID:	127301427
Reduced:	FSN2O3C18H23 (1)
Stoich.:	ABC2D3E18F23 (1)
Weight, g/mol:	336.125612
ΔH_f, kcal/mol:	-114.94
Dipole, Da:	4.41
IP(EA), eV:	-9.67(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N(CC2=CC=C(C=C2)F)C3CCCCC3

DOS

IR

Vibrations