Geometry & MOs

Info

ID:	138547
PubChem CID:	52383612
Reduced:	OSN3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	285.156264
ΔH_f, kcal/mol:	30.41
Dipole, Da:	3.51
IP(EA), eV:	-8.61(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-fluorophenyl)methyl-(3-methylsulfanylpropyl)amino]butan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCSCC3=CC=CC=C3

DOS

IR

Vibrations