Geometry & MOs

Info

ID:

399188

PubChem CID:

135038568

Reduced:

ISZnH2C4 (1)

Stoich.:

ABCD2E4 (1)

Weight, g/mol:

240.064257

ΔHf, kcal/mol:

-54.28

Dipole, Da:

17.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.832077

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1S)-1-phenylethyl]-1,3-dithiane 1-oxide

Drug info:

PubChemData

Smile

C1=[C-]SC(=C1)I.[Zn]

DOS

IR

Vibrations