Geometry & MOs

Info

ID:

327832

PubChem CID:

126691131

Reduced:

SO2C12H17 (1)

Stoich.:

AB2C12D17 (1)

Weight, g/mol:

226.102751

ΔHf, kcal/mol:

-66.17

Dipole, Da:

5.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.764272

Charge, e:

 0

Chem-info

IUPAC name:

3,5-di(propan-2-yl)benzenesulfinic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC(=C1)S(=O)[O-])C(C)C

DOS

IR

Vibrations