Geometry & MOs

Info

ID:	66875
PubChem CID:	46505436
Reduced:	BrSN4O4C22H23 (1)
Stoich.:	ABC4D4E22F23 (1)
Weight, g/mol:	428.13184
ΔH_f, kcal/mol:	-109.68
Dipole, Da:	5.1
IP(EA), eV:	-8.85(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-acetamidoethyl)-5-oxo-1-phenyl-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)OC)CC(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations