Geometry & MOs

Info

ID:	66922
PubChem CID:	46505521
Reduced:	BrSO3N5C26H32 (1)
Stoich.:	ABC3D5E26F32 (1)
Weight, g/mol:	587.15657
ΔH_f, kcal/mol:	-58.75
Dipole, Da:	4.24
IP(EA), eV:	-8.39(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-2-[1-(4-ethoxyphenyl)-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)OC)CC(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations