Geometry & MOs

Info

ID:	373105
PubChem CID:	131309996
Reduced:	OSCl2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	261.998592
ΔH_f, kcal/mol:	-42.55
Dipole, Da:	2.56
IP(EA), eV:	-8.65(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-[4-(chloromethyl)-3-methylsulfanylphenyl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)C1=C(C=CC(=C1)SC)CCl)Cl

DOS

IR

Vibrations