Geometry & MOs

Info

ID:	143979
PubChem CID:	53290643
Reduced:	SN4O5H23C28 (1)
Stoich.:	AB4C5D23E28 (1)
Weight, g/mol:	362.036615
ΔH_f, kcal/mol:	-3.79
Dipole, Da:	6.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.886227
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/2\C(=O)N(C(=N2)SCC(=O)C3=[N+](NOC3=O)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations