Geometry & MOs

Info

ID:	293697
PubChem CID:	117397123
Reduced:	NSO3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	257.108565
ΔH_f, kcal/mol:	-123.19
Dipole, Da:	7.68
IP(EA), eV:	-9.3(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)CC(C)N)S(=O)(=O)C

DOS

IR

Vibrations