Geometry & MOs

Info

ID:	61209
PubChem CID:	26707109
Reduced:	BrClN3O3C20H23 (1)
Stoich.:	ABC3D3E20F23 (1)
Weight, g/mol:	382.123025
ΔH_f, kcal/mol:	-66.84
Dipole, Da:	4.85
IP(EA), eV:	-9.02(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=C(C(=C3)OC)Br)OC

DOS

IR

Vibrations