Geometry & MOs

Info

ID:	446918
PubChem CID:	135278797
Reduced:	IS2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	316.091535
ΔH_f, kcal/mol:	84.0
Dipole, Da:	4.31
IP(EA), eV:	-7.93(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(2R)-1-(disulfanylamino)propan-2-yl]oxypyridin-3-yl]oxy-3-methylbutan-2-one

Drug info:

PubChemData

Smile

CCSNC1=CC(=C(C=C1)NC)C2=C3C=CN(C3=NC(=C2)C)SI

DOS

IR

Vibrations