Geometry & MOs

Info

ID:	175545
PubChem CID:	75919672
Reduced:	N2S2F3O4C17H23 (1)
Stoich.:	A2B2C3D4E17F23 (1)
Weight, g/mol:	345.181432
ΔH_f, kcal/mol:	-318.3
Dipole, Da:	4.52
IP(EA), eV:	-9.37(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

CC1CCC(CN1S(=O)(=O)C2=CC=C(C=C2)SC(F)(F)F)C(=O)NCCOC

DOS

IR

Vibrations