Geometry & MOs

Info

ID:

14550

PubChem CID:

414486

Reduced:

SO4C15H31 (1)

Stoich.:

AB4C15D31 (1)

Weight, g/mol:

308.202131

ΔHf, kcal/mol:

-234.02

Dipole, Da:

7.33

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753586

Charge, e:

 0

Chem-info

IUPAC name:

11-[bis(2-hydroxyethyl)-lambda4-sulfanyl]undecanoic acid

Drug info:

PubChemData

Smile

C(CCCCCS(CCO)CCO)CCCCC(=O)O

DOS

IR

Vibrations