Geometry & MOs

Info

ID:	66874
PubChem CID:	46505434
Reduced:	BrFSO3N4H20C21 (1)
Stoich.:	ABCD3E4F20G21 (1)
Weight, g/mol:	518.06234
ΔH_f, kcal/mol:	-109.85
Dipole, Da:	5.02
IP(EA), eV:	-9.12(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations