Geometry & MOs

Info

ID:	383233
PubChem CID:	134974853
Reduced:	ClO2H19C22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	246.989234
ΔH_f, kcal/mol:	-19.13
Dipole, Da:	1.52
IP(EA), eV:	-9.06(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-ethyl (2-chloropyridin-3-yl)methylsulfanylmethanethioate

Drug info:

PubChemData

Smile

C1[C@@H](CC2=CC=CC=C2O[C@H]1C3=CC(=CC=C3)OC4=CC=CC=C4)Cl

DOS

IR

Vibrations