Geometry & MOs

Info

ID:	293480
PubChem CID:	117391490
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	255.092915
ΔH_f, kcal/mol:	-88.88
Dipole, Da:	4.3
IP(EA), eV:	-8.48(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethoxy-3-methylsulfanylphenyl)-2-(methylamino)ethanone

Drug info:

PubChemData

Smile

CNCC(=O)C1=C(C=CC(=C1SC)OC)OC

DOS

IR

Vibrations