Geometry & MOs

Info

ID:	80924
PubChem CID:	49853909
Reduced:	F2O3N4C21H26 (1)
Stoich.:	A2B3C4D21E26 (1)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-151.37
Dipole, Da:	6.23
IP(EA), eV:	-9.22(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(5S)-3-[4-(3-benzyl-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1CCC(CC1)ON=C2CCN(CC2)C3=C(C=C(C(=C3)F)C#N)F

DOS

IR

Vibrations