Geometry & MOs

Info

ID:	280174
PubChem CID:	103847340
Reduced:	BrSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	280.113316
ΔH_f, kcal/mol:	-70.25
Dipole, Da:	3.77
IP(EA), eV:	-8.77(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methoxy-3-[(2-methyloxolan-3-yl)sulfanylmethyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1C(CCO1)SCC2=C(C=CC(=C2)Br)OC

DOS

IR

Vibrations