Geometry & MOs

Info

ID:

389694

PubChem CID:

134994489

Reduced:

OSC6H13 (1)

Stoich.:

ABC6D13 (1)

Weight, g/mol:

146.076536

ΔHf, kcal/mol:

-58.87

Dipole, Da:

0.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755982

Charge, e:

 0

Chem-info

IUPAC name:

(2R,6S)-2,6-dimethylthiane 1-oxide

Drug info:

PubChemData

Smile

CC1(C[S+](C1)OC)C

DOS

IR

Vibrations