Geometry & MOs

Info

ID:	403561
PubChem CID:	135060806
Reduced:	FSO2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	270.047442
ΔH_f, kcal/mol:	-96.09
Dipole, Da:	4.64
IP(EA), eV:	-7.7(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[fluoro(pyridin-2-ylsulfonyl)methyl]-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

CCCC[C@H]([C@H](C1=CC=CC=C1[S@@](=O)C2=CC=C(C=C2)C)F)O

DOS

IR

Vibrations