Geometry & MOs

Info

ID:	430329
PubChem CID:	135170393
Reduced:	SF2N2O4C25H32 (1)
Stoich.:	AB2C2D4E25F32 (1)
Weight, g/mol:	232.98515
ΔH_f, kcal/mol:	-251.5
Dipole, Da:	5.26
IP(EA), eV:	-9.57(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-fluoro-5-methyl-1-(oxiran-2-yl)-2H-pyridine

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N(C(=O)OCC2=CC=CC=C2)C3(CCC(C3)(F)F)NS(=O)(=O)C(C)(C)C

DOS

IR

Vibrations