Geometry & MOs

Info

ID:	293442
PubChem CID:	117389019
Reduced:	SO4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	254.06128
ΔH_f, kcal/mol:	-152.64
Dipole, Da:	4.8
IP(EA), eV:	-8.99(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyclopropylsulfonylphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1CSCC1OC2=CC=CC=C2C(C(=O)O)O

DOS

IR

Vibrations