Geometry & MOs

Info

ID:	266484
PubChem CID:	103567441
Reduced:	SN2O3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	288.093249
ΔH_f, kcal/mol:	-99.86
Dipole, Da:	5.33
IP(EA), eV:	-8.73(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-5-(2-pyridin-4-ylethoxy)benzenecarbothioamide

Drug info:

PubChemData

Smile

CC(COC1=CC(=CC(=C1)OC)C(=S)N)C(=O)N

DOS

IR

Vibrations