Geometry & MOs

Info

ID:	165491
PubChem CID:	74557458
Reduced:	SN2O6H16C21 (1)
Stoich.:	AB2C6D16E21 (1)
Weight, g/mol:	389.154442
ΔH_f, kcal/mol:	-17.91
Dipole, Da:	32.82
IP(EA), eV:	-7.02(-4.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-benzylpiperazin-1-ium-1-yl)-N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CN1C(=O)C(=CC2=C(C(=CC=C2)OC)OCC3=CC(=CC=C3)C(=O)[O-])C(=NC1=S)[O-]

DOS

IR

Vibrations