Geometry & MOs

Info

ID:	85420
PubChem CID:	49874973
Reduced:	ClN2O2S2H9C14 (1)
Stoich.:	AB2C2D2E9F14 (1)
Weight, g/mol:	163.099714
ΔH_f, kcal/mol:	26.54
Dipole, Da:	3.33
IP(EA), eV:	-8.9(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylpyridin-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C(=C(SC1=S)/C=C(\C#N)/C(=O)C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations