Geometry & MOs

Info

ID:	372878
PubChem CID:	131306519
Reduced:	SN3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	212.067114
ΔH_f, kcal/mol:	45.1
Dipole, Da:	4.86
IP(EA), eV:	-9.22(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-ethyl-2-fluoro-3-methylsulfanylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=NC=C2)CCN)C

DOS

IR

Vibrations