Geometry & MOs

Info

ID:	137775
PubChem CID:	52259486
Reduced:	BrFN2O4H14C16 (1)
Stoich.:	ABC2D4E14F16 (1)
Weight, g/mol:	396.0121
ΔH_f, kcal/mol:	-84.13
Dipole, Da:	4.97
IP(EA), eV:	-9.86(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-fluoro-4-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Br)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations