Geometry & MOs

Info

ID:	328021
PubChem CID:	126691764
Reduced:	BrFN3C6H9 (1)
Stoich.:	ABC3D6E9 (1)
Weight, g/mol:	534.227848
ΔH_f, kcal/mol:	-17.86
Dipole, Da:	3.45
IP(EA), eV:	-8.85(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[2-(azetidin-1-yl)-4-[[(4S,5R)-5-(3-fluorophenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]methyl]-3-hydroxypropanal

Drug info:

PubChemData

Smile

CC(=NC(=C)C(=C)F)NNBr

DOS

IR

Vibrations