Geometry & MOs

Info

ID:	233638
PubChem CID:	91146961
Reduced:	N2O4C29H32 (1)
Stoich.:	A2B4C29D32 (1)
Weight, g/mol:	388.0434
ΔH_f, kcal/mol:	-62.51
Dipole, Da:	2.89
IP(EA), eV:	-9.02(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl] N-tert-butyl-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(C)([C@@H](C=C[C@H]1[C@@H](C[C@H]2[C@@H]1C3=CC=CC(=C3O2)CCCC(C#N)[N+]#[C-])O)O)OC4=CC=CC=C4

DOS

IR

Vibrations