Geometry & MOs

Info

ID:	256062
PubChem CID:	103136778
Reduced:	BrSO4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	248.10823
ΔH_f, kcal/mol:	-138.81
Dipole, Da:	4.05
IP(EA), eV:	-8.64(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(5-methyloxolan-2-yl)methylsulfinyl]butanoic acid

Drug info:

PubChemData

Smile

CC1CCC(O1)CS(=O)C2=C(C=CC(=C2)Br)C(=O)O

DOS

IR

Vibrations