Geometry & MOs

Info

ID:	339756
PubChem CID:	127261758
Reduced:	SN3O3H17C18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	296.057926
ΔH_f, kcal/mol:	23.41
Dipole, Da:	12.67
IP(EA), eV:	-8.1(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-1-methyl-2-[nitro-(4-nitrophenyl)sulfanylmethylidene]imidazolidine

Drug info:

PubChemData

Smile

CN\1CCN(/C1=C(/[N+](=O)[O-])\SC2=CC=CC=C2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations