Geometry & MOs

Info

ID:	209090
PubChem CID:	80622056
Reduced:	OSC12H14 (1)
Stoich.:	ABC12D14 (1)
Weight, g/mol:	168.060886
ΔH_f, kcal/mol:	-29.06
Dipole, Da:	2.08
IP(EA), eV:	-8.88(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(thiolan-2-yl)pent-3-yn-1-one

Drug info:

PubChemData

Smile

C1CC(SC1)C(=O)CC2=CC=CC=C2

DOS

IR

Vibrations