Geometry & MOs

Info

ID:	314505
PubChem CID:	126621996
Reduced:	SO2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	376.04226
ΔH_f, kcal/mol:	20.91
Dipole, Da:	9.39
IP(EA), eV:	-8.93(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-(4-piperazin-1-ylphenoxy)benzoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)N=NC=C4

DOS

IR

Vibrations