Geometry & MOs

Info

ID:

135530

PubChem CID:

51887363

Reduced:

NS2O4C14H14 (1)

Stoich.:

AB2C4D14E14 (1)

Weight, g/mol:

236.141244

ΔHf, kcal/mol:

-65.29

Dipole, Da:

6.75

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.953009

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-(3-tert-butylphenoxy)butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC(=C(S2)C(=O)[O-])C)C

DOS

IR

Vibrations