Geometry & MOs

Info

ID:

150070

PubChem CID:

53789756

Reduced:

SO2N5C10H16 (1)

Stoich.:

AB2C5D10E16 (1)

Weight, g/mol:

276.193674

ΔHf, kcal/mol:

-30.13

Dipole, Da:

6.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.794576

Charge, e:

 0

Chem-info

IUPAC name:

10-(2-methoxyethoxymethoxy)decanoic acid

Drug info:

PubChemData

Smile

CN1C=[N+](C2=C1C(=O)N(C(=N2)N)C)CSCCO

DOS

IR

Vibrations