Geometry & MOs

Info

ID:	446481
PubChem CID:	135275301
Reduced:	FNO5C15H20 (1)
Stoich.:	ABC5D15E20 (1)
Weight, g/mol:	515.11075
ΔH_f, kcal/mol:	-267.0
Dipole, Da:	4.44
IP(EA), eV:	-9.39(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](C1=CC=C(C=C1)OCF)C(=O)OC

DOS

IR

Vibrations