Geometry & MOs

Info

ID:	446471
PubChem CID:	135275238
Reduced:	SF2O3N8H24C33 (1)
Stoich.:	AB2C3D8E24F33 (1)
Weight, g/mol:	415.05832
ΔH_f, kcal/mol:	128.76
Dipole, Da:	14.41
IP(EA), eV:	-8.66(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-(2-bromo-5-phenylmethoxyphenoxy)-1-(4-fluorophenyl)ethanamine

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5F)C6=CC(=CN=C6)NC(=O)C7=C8CCC8=C7)NN4)/N=C32

DOS

IR

Vibrations