Geometry & MOs

Info

ID:	193908
PubChem CID:	78454908
Reduced:	SN2O3C9H16 (1)
Stoich.:	AB2C3D9E16 (1)
Weight, g/mol:	399.239616
ΔH_f, kcal/mol:	-131.46
Dipole, Da:	2.65
IP(EA), eV:	-9.01(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-N-(2-methylpropyl)oxamide

Drug info:

PubChemData

Smile

COC(=O)C1CNCCN1C(=O)CSC

DOS

IR

Vibrations