Geometry & MOs

Info

ID:	46327
PubChem CID:	10523900
Reduced:	NO4C23H27 (1)
Stoich.:	AB4C23D27 (1)
Weight, g/mol:	381.152241
ΔH_f, kcal/mol:	-50.85
Dipole, Da:	4.25
IP(EA), eV:	-8.51(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[[(5S)-3-[4-(azepan-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate

Drug info:

PubChemData

Smile

C[C@@]12C[C@@H](CC3=C1C=CC(=C3)OC)CN(C2=O)CC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations