Geometry & MOs

Info

ID:	446473
PubChem CID:	135275241
Reduced:	BrFNO2H19C21 (1)
Stoich.:	ABCD2E19F21 (1)
Weight, g/mol:	545.12131
ΔH_f, kcal/mol:	-50.8
Dipole, Da:	3.17
IP(EA), eV:	-8.92(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R)-2-(2-bromo-5-phenylmethoxyphenoxy)-1-[4-(fluoromethoxy)phenyl]ethyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC(=C(C=C2)Br)OCC(C3=CC=C(C=C3)F)N

DOS

IR

Vibrations