Geometry & MOs

Info

ID:	52421
PubChem CID:	12015281
Reduced:	BrClOSN2H14C22 (1)
Stoich.:	ABCDE2F14G22 (1)
Weight, g/mol:	481.101561
ΔH_f, kcal/mol:	75.68
Dipole, Da:	4.01
IP(EA), eV:	-9.15(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2/C(=C/C3=CC=C(C=C3)Cl)/C(=S)N(C2=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations