Geometry & MOs

Info

ID:	66877
PubChem CID:	46505438
Reduced:	BrClSO3N4H20C21 (1)
Stoich.:	ABCD3E4F20G21 (1)
Weight, g/mol:	462.092868
ΔH_f, kcal/mol:	-72.28
Dipole, Da:	9.02
IP(EA), eV:	-9.06(-1.16)
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-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations