Geometry & MOs

Info

ID:	46843
PubChem CID:	10527787
Reduced:	SN2O6C23H24 (1)
Stoich.:	AB2C6D23E24 (1)
Weight, g/mol:	456.146741
ΔH_f, kcal/mol:	-145.72
Dipole, Da:	7.71
IP(EA), eV:	-8.94(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(2-hydroxyethylamino)pyridin-4-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C(CC3=CC=C(C=C3)O)C(=O)NO

DOS

IR

Vibrations