Geometry & MOs

Info

ID:	261257
PubChem CID:	103224420
Reduced:	FSO5C10H11 (1)
Stoich.:	ABC5D10E11 (1)
Weight, g/mol:	224.071845
ΔH_f, kcal/mol:	-232.18
Dipole, Da:	6.06
IP(EA), eV:	-10.66(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butan-2-ylsulfonyl-3-methoxypropanoic acid

Drug info:

PubChemData

Smile

COCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)F

DOS

IR

Vibrations