Geometry & MOs

Info

ID:	18655
PubChem CID:	545344
Reduced:	SO2C11H18 (1)
Stoich.:	AB2C11D18 (1)
Weight, g/mol:	214.102751
ΔH_f, kcal/mol:	-124.19
Dipole, Da:	4.14
IP(EA), eV:	-9.49(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-tert-butyl 2-(3-oxocyclopentyl)ethanethioate

Drug info:

PubChemData

Smile

CC(C)(C)SC(=O)CC1CCC(=O)C1

DOS

IR

Vibrations