Geometry & MOs

Info

ID:	37125
PubChem CID:	8017192
Reduced:	SN3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	407.10085
ΔH_f, kcal/mol:	-68.58
Dipole, Da:	4.29
IP(EA), eV:	-8.88(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C=CCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O

DOS

IR

Vibrations