Geometry & MOs

Info

ID:	13464
PubChem CID:	234396
Reduced:	ClS2O3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	289.983814
ΔH_f, kcal/mol:	-76.45
Dipole, Da:	4.59
IP(EA), eV:	-8.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-ethyl (6-chloro-1,3-benzodioxol-5-yl)methylsulfanylmethanethioate

Drug info:

PubChemData

Smile

CCOC(=S)SCC1=CC2=C(C=C1Cl)OCO2

DOS

IR

Vibrations