Geometry & MOs

Info

ID:	387644
PubChem CID:	134986282
Reduced:	OSCl2C5H6 (1)
Stoich.:	ABC2D5E6 (1)
Weight, g/mol:	245.967291
ΔH_f, kcal/mol:	-39.21
Dipole, Da:	1.78
IP(EA), eV:	-9.21(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-chloro-1-(4-chlorophenyl)-3-methylsulfanylprop-2-en-1-one

Drug info:

PubChemData

Smile

C/C(=C(/SC)\Cl)/C(=O)Cl

DOS

IR

Vibrations