Geometry & MOs

Info

ID:	196988
PubChem CID:	78905685
Reduced:	ClOS2N3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	296.041564
ΔH_f, kcal/mol:	54.99
Dipole, Da:	6.27
IP(EA), eV:	-8.88(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2-chloro-6-fluorophenyl)methoxy]-5-fluorophenyl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)N2C(=O)C(=CC3=CSC(=N3)C4CC4)NC2=S

DOS

IR

Vibrations