Geometry & MOs

Info

ID:	436930
PubChem CID:	135213056
Reduced:	IN2C5H9 (1)
Stoich.:	AB2C5D9 (1)
Weight, g/mol:	212.1035
ΔH_f, kcal/mol:	21.45
Dipole, Da:	1.98
IP(EA), eV:	-8.86(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-2-methylphenyl)-1-methylthiolane

Drug info:

PubChemData

Smile

C1C/C(=N/I)/CNC1

DOS

IR

Vibrations