Geometry & MOs

Info

ID:

230843

PubChem CID:

87572126

Reduced:

NaS2N3O3C6H13 (1)

Stoich.:

AB2C3D3E6F13 (1)

Weight, g/mol:

217.89954

ΔHf, kcal/mol:

-153.83

Dipole, Da:

8.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757229

Charge, e:

 0

Chem-info

IUPAC name:

2-[chloro(iodo)methyl]oxirane

Drug info:

PubChemData

Smile

C1COCCN1NC(=O)S.C(=O)(N)S.[Na]

DOS

IR

Vibrations