Geometry & MOs

Info

ID:	252298
PubChem CID:	103110359
Reduced:	ClSN3O3C13H16 (1)
Stoich.:	ABC3D3E13F16 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-81.15
Dipole, Da:	4.19
IP(EA), eV:	-9.48(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-2-methoxy-2-methylpropanamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NS(=O)(=O)C1=CC(=C(C=C1)C#N)Cl

DOS

IR

Vibrations