Geometry & MOs

Info

ID:	66849
PubChem CID:	46505374
Reduced:	ClSN4O4C22H23 (1)
Stoich.:	ABC4D4E22F23 (1)
Weight, g/mol:	478.063317
ΔH_f, kcal/mol:	-117.77
Dipole, Da:	4.85
IP(EA), eV:	-8.42(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-acetamidoethyl)-1-(3-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NCCN1C(C(=O)N(C1=S)C2=CC(=CC=C2)Cl)CC(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations