Geometry & MOs

Info

ID:	20895
PubChem CID:	586281
Reduced:	ClOSC10H11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	214.021914
ΔH_f, kcal/mol:	-28.45
Dipole, Da:	3.24
IP(EA), eV:	-9.04(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-phenylsulfanylbutan-2-one

Drug info:

PubChemData

Smile

CC(C(=O)CCl)SC1=CC=CC=C1

DOS

IR

Vibrations