Geometry & MOs

Info

ID:	66853
PubChem CID:	46505380
Reduced:	ClSN4O4C22H23 (1)
Stoich.:	ABC4D4E22F23 (1)
Weight, g/mol:	508.073882
ΔH_f, kcal/mol:	-116.53
Dipole, Da:	8.68
IP(EA), eV:	-8.69(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-acetamidoethyl)-1-(3-chloro-4-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(=C(C=C2)OC)Cl)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations