Geometry & MOs

Info

ID:	66923
PubChem CID:	46505522
Reduced:	BrSO3N5C27H34 (1)
Stoich.:	ABC3D5E27F34 (1)
Weight, g/mol:	561.12094
ΔH_f, kcal/mol:	-51.93
Dipole, Da:	2.9
IP(EA), eV:	-8.51(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-2-[1-(4-fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCCN3CCN(CC3)C)CC(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations