Geometry & MOs

Info

ID:	284962
PubChem CID:	104085835
Reduced:	OSN3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	228.073262
ΔH_f, kcal/mol:	-27.86
Dipole, Da:	5.07
IP(EA), eV:	-8.86(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-(1-hydroxypropan-2-ylsulfanyl)benzenecarboximidamide

Drug info:

PubChemData

Smile

CC(CO)SC1=C(C=C2CCCCC2=N1)C(=N)N

DOS

IR

Vibrations