Geometry & MOs

Info

ID:	291473
PubChem CID:	112676838
Reduced:	FNSC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	241.093663
ΔH_f, kcal/mol:	-11.66
Dipole, Da:	3.65
IP(EA), eV:	-8.22(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-2-methyl-1,4-thiazepane 1-oxide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1F)NC2=CC(=CC=C2)SC

DOS

IR

Vibrations