Geometry & MOs

Info

ID:	387538
PubChem CID:	134985759
Reduced:	SO2C8H12 (1)
Stoich.:	AB2C8D12 (1)
Weight, g/mol:	172.055801
ΔH_f, kcal/mol:	-77.52
Dipole, Da:	6.04
IP(EA), eV:	-9.12(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propanethioyloxan-2-one

Drug info:

PubChemData

Smile

CC(C)C(=S)C1CCOC1=O

DOS

IR

Vibrations