Geometry & MOs

Info

ID:	66924
PubChem CID:	46505524
Reduced:	BrFSO2N5C25H29 (1)
Stoich.:	ABCD2E5F25G29 (1)
Weight, g/mol:	577.09139
ΔH_f, kcal/mol:	-64.24
Dipole, Da:	2.47
IP(EA), eV:	-8.49(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCN2C(C(=O)N(C2=S)C3=CC=C(C=C3)F)CC(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations