Geometry & MOs

Info

ID:	176120
PubChem CID:	75999084
Reduced:	SO3N8H14C17 (1)
Stoich.:	AB3C8D14E17 (1)
Weight, g/mol:	447.136511
ΔH_f, kcal/mol:	129.3
Dipole, Da:	9.71
IP(EA), eV:	-9.05(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyloxadiazol-3-ium-5-yl)-2-[4-[(4-methylphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylethanimidate

Drug info:

PubChemData

Smile

CN(C)[N+]1=NOC(=C1)N=C(CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N)[O-]

DOS

IR

Vibrations