Geometry & MOs

Info

ID:	52420
PubChem CID:	12015280
Reduced:	OSN3H17C21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	467.96987
ΔH_f, kcal/mol:	64.36
Dipole, Da:	0.76
IP(EA), eV:	-8.27(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(4-bromophenyl)-4-[(4-chlorophenyl)methylidene]-3-phenyl-5-sulfanylideneimidazolidin-2-one

Drug info:

PubChemData

Smile

C1C(=S)N(C(=O)N1C2=CC=CC=C2)C3=CC=C(C=C3)NC4=CC=CC=C4

DOS

IR

Vibrations