Geometry & MOs

Info

ID:	444970
PubChem CID:	135264128
Reduced:	SO2N4H8C10 (1)
Stoich.:	AB2C4D8E10 (1)
Weight, g/mol:	445.06888
ΔH_f, kcal/mol:	40.02
Dipole, Da:	3.62
IP(EA), eV:	-8.98(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2-bromo-5-phenylmethoxyphenoxy)-2-[4-(fluoromethoxy)phenyl]ethanamine

Drug info:

PubChemData

Smile

C1C2=C(C=CN1C3=NC=C(S3)C(=O)N)ON=C2

DOS

IR

Vibrations