Geometry & MOs

Info

ID:	143995
PubChem CID:	53295888
Reduced:	SO3N5C17H19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	433.129414
ΔH_f, kcal/mol:	16.24
Dipole, Da:	5.08
IP(EA), eV:	-8.97(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-2-[1-methyl-3-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

Drug info:

PubChemData

Smile

COCC[N+]1=NOC(=C1)/N=C(/CSC2=C(C=C3CCCCC3=N2)C#N)\[O-]

DOS

IR

Vibrations