Geometry & MOs

Info

ID:	143983
PubChem CID:	53291681
Reduced:	SN3O3C11H11 (1)
Stoich.:	AB3C3D11E11 (1)
Weight, g/mol:	324.065417
ΔH_f, kcal/mol:	-31.44
Dipole, Da:	4.99
IP(EA), eV:	-9.07(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

C[N+]1=NOC(=C1SCC(=O)NC2=CC=CC=C2)[O-]

DOS

IR

Vibrations