Geometry & MOs

Info

ID:	183421
PubChem CID:	77021587
Reduced:	FSO2N3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	274.146347
ΔH_f, kcal/mol:	-70.6
Dipole, Da:	5.38
IP(EA), eV:	-8.93(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSCC1C(=O)NC2=CC(=C(C=C2)F)C(=NO)N

DOS

IR

Vibrations