Geometry & MOs

Info

ID:	10964
PubChem CID:	109435
Reduced:	SO3C9H12 (1)
Stoich.:	AB3C9D12 (1)
Weight, g/mol:	200.050715
ΔH_f, kcal/mol:	-108.42
Dipole, Da:	2.39
IP(EA), eV:	-9.21(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-ylmethylsulfanyl)-3-hydroxybutan-2-one

Drug info:

PubChemData

Smile

CC(=O)C(C)(O)SCC1=CC=CO1

DOS

IR

Vibrations