Geometry & MOs

Info

ID:	434803
PubChem CID:	135175736
Reduced:	ClN2O3F6H19C26 (1)
Stoich.:	AB2C3D6E19F26 (1)
Weight, g/mol:	293.14495
ΔH_f, kcal/mol:	-355.84
Dipole, Da:	7.39
IP(EA), eV:	-9.5(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(1-sulfanylethylamino)cyclobutyl]oxyphenyl]butan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=CC(=C1)NC(=O)C2(CC2)C3=C(C=C(C=C3)C(F)(F)F)F)Cl)C4=CN=C(C=C4)C(F)F

DOS

IR

Vibrations