Geometry & MOs

Info

ID:	30118
PubChem CID:	840026
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	248.061949
ΔH_f, kcal/mol:	23.2
Dipole, Da:	4.3
IP(EA), eV:	-8.71(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1[C@H]2C(=C(OC3=C2NC(=N3)OC)N)C#N

DOS

IR

Vibrations