Geometry & MOs

Info

ID:	154684
PubChem CID:	56314176
Reduced:	ON3F4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	415.154349
ΔH_f, kcal/mol:	-181.12
Dipole, Da:	3.54
IP(EA), eV:	-9.54(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CN1C2=CC=CC=C2N=C1C(F)(F)F)C3=CC=CC=C3F

DOS

IR

Vibrations