Geometry & MOs

Info

ID:	143988
PubChem CID:	53292521
Reduced:	BrSN3O3C13H14 (1)
Stoich.:	ABC3D3E13F14 (1)
Weight, g/mol:	372.00175
ΔH_f, kcal/mol:	-69.81
Dipole, Da:	4.36
IP(EA), eV:	-9.3(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-bromophenyl)-2-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)sulfanyl]butanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=CC=C1Br)SC2=C(ON=[N+]2C)[O-]

DOS

IR

Vibrations