Geometry & MOs

Info

ID:	66876
PubChem CID:	46505437
Reduced:	FSO3N4C21H21 (1)
Stoich.:	ABC3D4E21F21 (1)
Weight, g/mol:	522.0128
ΔH_f, kcal/mol:	-111.96
Dipole, Da:	4.37
IP(EA), eV:	-9.08(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations