Geometry & MOs

Info

ID:

11493

PubChem CID:

116311

Reduced:

NOS2C6H14 (1)

Stoich.:

ABC2D6E14 (1)

Weight, g/mol:

180.051681

ΔHf, kcal/mol:

-30.98

Dipole, Da:

0.98

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.764882

Charge, e:

 1

Chem-info

IUPAC name:

4,4-bis(methylsulfanyl)morpholin-4-ium

Drug info:

PubChemData

Smile

CS[N+]1(CCOCC1)SC

DOS

IR

Vibrations