Geometry & MOs

Info

ID:	66881
PubChem CID:	46505447
Reduced:	ClSO3N4C21H21 (1)
Stoich.:	ABC3D4E21F21 (1)
Weight, g/mol:	474.119561
ΔH_f, kcal/mol:	-81.34
Dipole, Da:	3.11
IP(EA), eV:	-8.91(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations