Geometry & MOs

Info

ID:	66850
PubChem CID:	46505376
Reduced:	SCl2O3N4H20C21 (1)
Stoich.:	AB2C3D4E20F21 (1)
Weight, g/mol:	488.128504
ΔH_f, kcal/mol:	-91.19
Dipole, Da:	4.64
IP(EA), eV:	-9.04(-1.06)
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-ethoxyphenyl)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)Cl

DOS

IR

Vibrations