Geometry & MOs

Info

ID:	434305
PubChem CID:	135174662
Reduced:	ClSN2O3C19H23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	279.163457
ΔH_f, kcal/mol:	-67.44
Dipole, Da:	5.51
IP(EA), eV:	-9.19(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-5-[3-(methylamino)cyclobutyl]oxyphenyl]pentan-3-one

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)COC2=CC=CC(=C2)CNCC3CNC3)Cl

DOS

IR

Vibrations