Geometry & MOs

Info

ID:	88781
PubChem CID:	49956787
Reduced:	BrSN3O3C26H26 (1)
Stoich.:	ABC3D3E26F26 (1)
Weight, g/mol:	479.06113
ΔH_f, kcal/mol:	-46.39
Dipole, Da:	10.69
IP(EA), eV:	-8.37(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-chlorophenoxy)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

DOS

IR

Vibrations