Geometry & MOs

Info

ID:	222706
PubChem CID:	85331580
Reduced:	BrFN2O2C21H36 (1)
Stoich.:	ABC2D2E21F36 (1)
Weight, g/mol:	481.168285
ΔH_f, kcal/mol:	-71.45
Dipole, Da:	21.37
IP(EA), eV:	-6.74(-3.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl N-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]carbamate

Drug info:

PubChemData

Smile

C[N+]1CC2CCC3C[N+](CC4C3C2C(C1)CC4)CCCCCC(=O)O.[F-].[Br-]

DOS

IR

Vibrations