Geometry & MOs

Info

ID:	373738
PubChem CID:	131319539
Reduced:	ClOS2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	229.057278
ΔH_f, kcal/mol:	-11.46
Dipole, Da:	4.35
IP(EA), eV:	-8.25(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoro-6-methylsulfonylphenyl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

COC1=CC(=C2C(=C1CCl)C=CS2)SC

DOS

IR

Vibrations