Geometry & MOs

Info

ID:	52422
PubChem CID:	12015282
Reduced:	ClOSN3H20C28 (1)
Stoich.:	ABCD3E20F28 (1)
Weight, g/mol:	461.156184
ΔH_f, kcal/mol:	100.27
Dipole, Da:	2.56
IP(EA), eV:	-8.29(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(4-anilinophenyl)-4-[(4-methylphenyl)methylidene]-3-phenyl-5-sulfanylideneimidazolidin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=CC=C(C=C2)N3C(=S)/C(=C\C4=CC=C(C=C4)Cl)/N(C3=O)C5=CC=CC=C5

DOS

IR

Vibrations