Geometry & MOs

Info

ID:	8221
PubChem CID:	75479
Reduced:	OSH14C15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	242.076536
ΔH_f, kcal/mol:	11.0
Dipole, Da:	3.47
IP(EA), eV:	-8.66(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-1-phenylethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSCC(=O)C2=CC=CC=C2

DOS

IR

Vibrations