Geometry & MOs

Info

ID:	167291
PubChem CID:	74804222
Reduced:	SO2N4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	361.192746
ΔH_f, kcal/mol:	-44.66
Dipole, Da:	1.33
IP(EA), eV:	-8.62(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC(CCSC)C(=O)N1CCC(CC1)C2=NC(=NC=C2)C3=CC=CC=C3

DOS

IR

Vibrations