Geometry & MOs

Info

ID:	209089
PubChem CID:	80622055
Reduced:	OSC10H16 (1)
Stoich.:	ABC10D16 (1)
Weight, g/mol:	206.076536
ΔH_f, kcal/mol:	-44.65
Dipole, Da:	1.69
IP(EA), eV:	-8.84(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-1-(thiolan-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CC(SC1)C(=O)CCC2CC2

DOS

IR

Vibrations