Geometry & MOs

Info

ID:	202920
PubChem CID:	79745814
Reduced:	BrNOSH10C13 (1)
Stoich.:	ABCDE10F13 (1)
Weight, g/mol:	285.118735
ΔH_f, kcal/mol:	30.28
Dipole, Da:	3.72
IP(EA), eV:	-9.32(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethylpyridin-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-one

Drug info:

PubChemData

Smile

C1CC2=C(C1C(=O)C3=CC=C(S3)Br)N=CC=C2

DOS

IR

Vibrations