Geometry & MOs

Info

ID:	20923
PubChem CID:	586310
Reduced:	OSC10H12 (1)
Stoich.:	ABC10D12 (1)
Weight, g/mol:	180.060886
ΔH_f, kcal/mol:	-25.99
Dipole, Da:	3.92
IP(EA), eV:	-8.92(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylsulfanylbutan-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations