Geometry & MOs

Info

ID:	22310
PubChem CID:	596584
Reduced:	ClOSC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	242.053214
ΔH_f, kcal/mol:	-38.76
Dipole, Da:	3.58
IP(EA), eV:	-9.11(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-methyl-3-phenylsulfanylpentan-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations