Geometry & MOs

Info

ID:	204418
PubChem CID:	79963093
Reduced:	SF2O2N3H11C12 (1)
Stoich.:	AB2C2D3E11F12 (1)
Weight, g/mol:	283.140614
ΔH_f, kcal/mol:	-83.99
Dipole, Da:	4.5
IP(EA), eV:	-8.98(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-fluoro-2-methylphenyl)-(1,4-oxathian-2-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1CSCC(O1)C2=NOC(=N2)C3=CC(=C(C=C3N)F)F

DOS

IR

Vibrations