Geometry & MOs

Info

ID:	66925
PubChem CID:	46505525
Reduced:	BrClSO2N5C25H29 (1)
Stoich.:	ABCD2E5F25G29 (1)
Weight, g/mol:	575.13659
ΔH_f, kcal/mol:	-27.76
Dipole, Da:	2.51
IP(EA), eV:	-8.49(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations