Geometry & MOs

Info

ID:	371969
PubChem CID:	131283238
Reduced:	ClOSH7C8 (1)
Stoich.:	ABCD7E8 (1)
Weight, g/mol:	200.974819
ΔH_f, kcal/mol:	-5.14
Dipole, Da:	3.56
IP(EA), eV:	-9.49(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-chloro-1-(5-chloropyridin-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CS1)C(=O)/C=C/Cl

DOS

IR

Vibrations