Geometry & MOs

Info

ID:	257031
PubChem CID:	103143141
Reduced:	FNSO2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	205.11365
ΔH_f, kcal/mol:	-110.82
Dipole, Da:	1.71
IP(EA), eV:	-8.6(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-methyloxolan-2-yl)methylsulfinyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CS(=O)C2=CC(=CC(=C2)F)N

DOS

IR

Vibrations