Geometry & MOs

Info

ID:	66839
PubChem CID:	46505357
Reduced:	SN4O4C22H24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	474.112854
ΔH_f, kcal/mol:	-106.06
Dipole, Da:	2.52
IP(EA), eV:	-9.02(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-acetamidoethyl)-1-(3-methoxyphenyl)-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)OC)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations