Geometry & MOs

Info

ID:

388507

PubChem CID:

134989349

Reduced:

N2O3C6H9 (1)

Stoich.:

A2B3C6D9 (1)

Weight, g/mol:

231.968643

ΔHf, kcal/mol:

-112.01

Dipole, Da:

3.56

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755793

Charge, e:

 0

Chem-info

IUPAC name:

methyl benzenesulfonylmethanedithioate

Drug info:

PubChemData

Smile

CC1=[N+](C(=O)N(C(=O)O1)C)C

DOS

IR

Vibrations