Geometry & MOs

Info

ID:	421665
PubChem CID:	135116397
Reduced:	SN2O6C16H24 (1)
Stoich.:	AB2C6D16E24 (1)
Weight, g/mol:	283.106925
ΔH_f, kcal/mol:	-227.48
Dipole, Da:	8.0
IP(EA), eV:	-8.7(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,1,3-benzoxadiazol-5-ylmethylamino)-4-methylpyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations