Geometry & MOs

Info

ID:

57198

PubChem CID:

22395468

Reduced:

SO3C22H31 (1)

Stoich.:

AB3C22D31 (1)

Weight, g/mol:

289.216755

ΔHf, kcal/mol:

-70.91

Dipole, Da:

0.82

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.353615

Charge, e:

 -1

Chem-info

IUPAC name:

2-dodecylbenzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-]

DOS

IR

Vibrations