Geometry & MOs

Info

ID:	280184
PubChem CID:	103847387
Reduced:	BrSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	284.088244
ΔH_f, kcal/mol:	-68.8
Dipole, Da:	1.74
IP(EA), eV:	-9.13(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-fluoro-4-[(2-methyloxolan-3-yl)sulfanylmethyl]benzoate

Drug info:

PubChemData

Smile

CC1C(CCO1)SCCOC2=CC(=CC=C2)Br

DOS

IR

Vibrations