Geometry & MOs

Info

ID:	387605
PubChem CID:	134986090
Reduced:	OC13H14 (1)
Stoich.:	AB13C14 (1)
Weight, g/mol:	174.017307
ΔH_f, kcal/mol:	-2.25
Dipole, Da:	2.91
IP(EA), eV:	-8.84(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propanethioylthiolan-2-one

Drug info:

PubChemData

Smile

C1COC2=CC(CC21)C3=CC=CC=C3

DOS

IR

Vibrations