Geometry & MOs

Info

ID:	143990
PubChem CID:	53292721
Reduced:	SN3O6H17C19 (1)
Stoich.:	AB3C6D17E19 (1)
Weight, g/mol:	364.057887
ΔH_f, kcal/mol:	-127.4
Dipole, Da:	14.27
IP(EA), eV:	-9.22(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)sulfanyl]-N-[2-(trifluoromethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=C(ON=[N+]2C3=CC=C(C=C3)OC)[O-]

DOS

IR

Vibrations