Geometry & MOs

Info

ID:	398553
PubChem CID:	135033847
Reduced:	SF3O3N5C17H22 (1)
Stoich.:	AB3C3D5E17F22 (1)
Weight, g/mol:	324.97721
ΔH_f, kcal/mol:	-221.12
Dipole, Da:	3.43
IP(EA), eV:	-9.04(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CSC(=N1)N(C)CCN(C)C(=O)CN2C(=CC(=N2)C(F)(F)F)C

DOS

IR

Vibrations