Geometry & MOs

Info

ID:	360821
PubChem CID:	127301466
Reduced:	SN3O5C15H23 (1)
Stoich.:	AB3C5D15E23 (1)
Weight, g/mol:	324.094392
ΔH_f, kcal/mol:	-165.05
Dipole, Da:	2.36
IP(EA), eV:	-9.44(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCCC(C2)C(=O)N3CCOCC3

DOS

IR

Vibrations