Geometry & MOs

Info

ID:	183439
PubChem CID:	77021605
Reduced:	SO2N4C13H24 (1)
Stoich.:	AB2C4D13E24 (1)
Weight, g/mol:	288.161997
ΔH_f, kcal/mol:	-58.51
Dipole, Da:	2.67
IP(EA), eV:	-8.86(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxy-2-[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]butanimidamide

Drug info:

PubChemData

Smile

CCC(C(=NO)N)N1CCN(CC1)C(=O)C2CCCS2

DOS

IR

Vibrations