Geometry & MOs

Info

ID:	339759
PubChem CID:	127261763
Reduced:	ClSO2N3C11H12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	281.083413
ΔH_f, kcal/mol:	17.3
Dipole, Da:	9.58
IP(EA), eV:	-8.84(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(4-methoxyphenyl)sulfanyl-nitromethylidene]-1-methylimidazolidine

Drug info:

PubChemData

Smile

CN\1CCN/C1=C(/[N+](=O)[O-])\SC2=CC=C(C=C2)Cl

DOS

IR

Vibrations