Geometry & MOs

Info

ID:	183438
PubChem CID:	77021604
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	300.161997
ΔH_f, kcal/mol:	-27.52
Dipole, Da:	3.34
IP(EA), eV:	-9.02(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxy-2-[4-(thiolane-2-carbonyl)piperazin-1-yl]butanimidamide

Drug info:

PubChemData

Smile

C1CSCC1C(=O)NCC2=CC=C(C=C2)C(=NO)N

DOS

IR

Vibrations