Geometry & MOs

Info

ID:	297097
PubChem CID:	117608687
Reduced:	NSO2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	307.138385
ΔH_f, kcal/mol:	-45.35
Dipole, Da:	8.31
IP(EA), eV:	-8.66(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1S)-1-(2,4-difluoro-3-phenoxyphenyl)propyl]amino]ethanol

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)S(=O)(=O)C)C3=CC=CC=C31

DOS

IR

Vibrations