Geometry & MOs

Info

ID:	195511
PubChem CID:	78695024
Reduced:	OSN3H15C19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	354.086056
ΔH_f, kcal/mol:	69.79
Dipole, Da:	2.73
IP(EA), eV:	-9.25(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylphenyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(C=C3)C#N)NC2=S

DOS

IR

Vibrations