Geometry & MOs

Info

ID:	262400
PubChem CID:	103291064
Reduced:	ClNSC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	260.027393
ΔH_f, kcal/mol:	-3.46
Dipole, Da:	2.79
IP(EA), eV:	-8.54(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorophenyl)methylsulfonyl]butan-2-one

Drug info:

PubChemData

Smile

CCC(CSCC1=CC=CC=C1Cl)NC

DOS

IR

Vibrations