Geometry & MOs

Info

ID:	249516
PubChem CID:	103090167
Reduced:	NOSC9H21 (1)
Stoich.:	ABCD9E21 (1)
Weight, g/mol:	236.054087
ΔH_f, kcal/mol:	-70.87
Dipole, Da:	1.22
IP(EA), eV:	-8.53(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-4-methylsulfanylbutan-1-one

Drug info:

PubChemData

Smile

CCCNC(CCCSC)CO

DOS

IR

Vibrations