Geometry & MOs

Info

ID:	143980
PubChem CID:	53291366
Reduced:	ClSN3O3H13C16 (1)
Stoich.:	ABC3D3E13F16 (1)
Weight, g/mol:	378.091238
ΔH_f, kcal/mol:	-11.03
Dipole, Da:	5.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766423
Charge, e:	1

Chem-info

IUPAC name:

N-naphthalen-2-yl-2-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[N+]2=C(C(=O)ON2)SCC(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations