Geometry & MOs

Info

ID:	245986
PubChem CID:	103033798
Reduced:	SO5C10H20 (1)
Stoich.:	AB5C10D20 (1)
Weight, g/mol:	252.103145
ΔH_f, kcal/mol:	-245.3
Dipole, Da:	4.85
IP(EA), eV:	-10.16(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxy-3-methylbutyl)sulfonylbutanoic acid

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)CCC(C)(C)OC)C(=O)O

DOS

IR

Vibrations